BDBM1944 BHAP deriv.::CHEMBL593::DELAVIRDINE MESYLATE::Delavirdine::N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide::Rescriptor::U-90152S

SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

InChI Key InChIKey=WHBIGIKBNXZKFE-UHFFFAOYSA-N

Data  42 IC50  3 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 1944   

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataEC50: >2.30E+4nMAssay Description:Inhibition of HIV1 RES056 reverse transcriptase K103N/Y181C double mutant infected in human MT4 cells assessed as protection against virus-induced cy...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of purified recombinant HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.50E+3nMAssay Description:Compound was evaluated for its inhibitory activity against recombinant HIV-1 Reverse transcriptase using cell free RT inhibition assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 422nMAssay Description:The compound was evaluated for the inhibition of HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetChymotrypsinogen A(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 2.25E+5nMAssay Description:Compound was tested for the inhibition of ChymotrypsinogenMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase(Escherichia coli (strain K12))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 9.00E+4nMAssay Description:Compound was tested for the inhibition of beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 38nMAssay Description:Therapeutic concentration on reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMalate dehydrogenase, cytoplasmic(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 8.50E+4nMAssay Description:Inhibition of malate dehydrogenase (MDH)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 21nMAssay Description:Inhibitory concentration against wild-type reverse transcriptase of HIV-1More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCruzipain(Trypanosoma cruzi)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.22E+5nMAssay Description:Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in presence of 0.01% Triton X-100More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataEC50:  76nMAssay Description:Inhibition of HIV-1 reverse transcriptase E138K mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect mea...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 657nMAssay Description:Inhibitory activity against wild-type HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 4.38E+3nMAssay Description:Inhibitory activity against E138K mutant reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 394nMAssay Description:Inhibitory activity against R172A mutant reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase protein(Human immunodeficiency virus type 1)
Fudan University

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataEC50: >1.00E+4nMAssay Description:Inhibition of HIV RT K103N/Y181C mutant by cell based assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 260nMAssay Description:Inhibition of wild type recombinant HIV1 reverse transcriptase using poly(rA)-oligo(dT) as template/primerMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 8.30E+3nMAssay Description:Inhibition of wild type recombinant HIV1 reverse transcriptase Y181C mutant using poly(rA)-oligo(dT) as template/primerMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetIntegrase(Human immunodeficiency virus type 1)
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of HIV1 integraseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 36nMAssay Description:Inhibition of recombinant HIV1 non-nucleoside reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Federal University of Parana

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.87E+4nMAssay Description:Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells mediated pheophorbide A efflux preincubated with PhA followed by compound addition and ...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Tianjin University

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibitory activity was evaluated in vitro against HIV- I reverse transcriptase (RT)More data for this Ligand-Target Pair
In DepthDetails Article
PDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 422nMpH: 8.2 T: 2°CAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.10E+3nMpH: 8.3 T: 2°CAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.10E+3nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.80E+4nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 8.32E+3nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.30nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 114nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N](Human immunodeficiency virus type 1)
Medivir

LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 625nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 260nMpH: 8.3 T: 2°CAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 170nMAssay Description:Inhibitory activity against HIV-1 reverse transcriptase (wild type)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 6.66E+3nMAssay Description:Inhibitory activity against HIV-1 reverse transcriptase (P236L)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.10E+3nMAssay Description:In vitro for inhibition of HIV-1 reverse transcriptase.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 260nMAssay Description:Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 8.30E+3nMAssay Description:Inhibitory activity against Y181C mutant HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibitory activity against P236L mutant HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 260nMAssay Description:Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primerMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Institute

Curated by ChEMBL
LigandPNGBDBM1944(BHAP deriv. | N-[2-({4-[3-(propan-2-ylamino)pyridi...)
Affinity DataIC50: 8.32E+3nMAssay Description:Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)