BDBM8125 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate::CHEMBL1323::Darunavir::Darunavir (DRV)::TMC-114::UIC-94017::US10806794, Compound Darunavir

SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1

InChI Key InChIKey=CJBJHOAVZSMMDJ-UHFFFAOYSA-N

Data  60 KI  30 IC50  1 Kd  9 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 99 hits for monomerid = 8125   

TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  13nMAssay Description:Inhibition of DRV-resistant protease V32I/L33F/I54M/V82I mutant in HIV1 transfected in 293T cells after 48 hrs by lentiviral vector-based luciferase ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily E/KQT member 1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 3.16E+5nMAssay Description:Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.58E+6nMAssay Description:Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automat...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonW...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily D member 3(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWork...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium channel protein type 5 subunit alpha(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platformMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.58E+5nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKd:  0.0160nMAssay Description:Binding affinity to HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 0.0600nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-GlnAsn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincuba...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 0.0130nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.46E+3nMAssay Description:Inhibition of HIV-1 protease expressed in Escherichia coli using Arg-Glu-(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DABCTL)-Arg as substrate preinc...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  112nMAssay Description:Inhibition of DRV-resistant protease V32I/L33F/I54M/I84V mutant in HIV1 transfected in 293T cells after 48 hrs by lentiviral vector-based luciferase ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Nektar Therapeutics

US Patent
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.5nMAssay Description:Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 0.460nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 3.32E+4nMAssay Description:Inhibition of P-gp in human 12D7-MDR cells using calcein-AM as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of P-gp in human 12D7-MDR cells using NBD-Aba as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibition of P-gp in human CMEC/D3 cells using calcein-AM as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.54E+4nMAssay Description:Inhibition of P-gp in human CMEC/D3 cells using NBD-Aba as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 4nMAssay Description:Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of Human immunodeficiency virus 1 3B proteaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium channel protein type 5 subunit alpha(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 3.98E+4nMAssay Description:Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automat...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 0.870nMAssay Description:Inhibition of HIV-1 protease by fluorescence resonance energy transfer analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of HIV-1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-lle-Val-Gln-Lys (DABCYL)-Arg as substrate preincubated for 20 to 30 mins follo...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 0.510nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of recombinant HIV1 protease measured assessed as hydrolysis of fluorogenic substrate by FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 370nMAssay Description:Inhibition of HIV1 protease by FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of HIV-1 protease expressed in Escherichia coli using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGag-Pol polyprotein [489-892](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  0.25nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHIV WT-A pol protein (wild-type clade A)(Human immunodeficiency virus type 1)
Massachusetts Institute of Technology

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  0.300nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  0.150nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHIV WT-C pol protein (wild-type clade C)(Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  0.180nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily E/KQT member 1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 5.01E+4nMAssay Description:Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 6.31E+4nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataIC50: 0.0610nMT: 2°CAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli incubated for 20 to 30 mins at room temperature using (Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-I...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMDRC4(Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  0.600nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMDR1(Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataEC50:  0.230nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.000147nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.000200nMAssay Description:Inhibition of wild type HIV1 protease by FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00100nMAssay Description:Inhibition of HIV1 protease I50V, A71V mutant by FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi: <0.00100nMAssay Description:Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Esch...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00400nMAssay Description:Inhibition of HIV1 protease L10I, G48V, I54V, L63P and V82A mutant by FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00430nMAssay Description:Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00500nMAssay Description:Inhibition of wild type HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGag-Pol polyprotein [484-582,Q491K,I494L,I497V,V499I,E519D,R541K,D544E,Q553K,L573M](Human immunodeficiency virus)
University of Massachusetts

LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00500nM ΔG°:  -15.4kcal/molepH: 4.7 T: 2°CAssay Description:The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi: <0.00500nMAssay Description:Inhibition of HIV1 NL4-3 protease expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00530nMAssay Description:Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kobe Gakuin University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.00800nMAssay Description:Binding affinity to wild type HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
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