BDBM222178 Rilpivirine

SMILES Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N

InChI Key InChIKey=YIBOMRUWOWDFLG-UHFFFAOYSA-N

Data  66 IC50  7 EC50

PDB links: 29 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 222178   

TargetCytochrome P450 3A4(Human)
Yanbian University College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 2.17E+3nMAssay Description:Inhibition of CYP3A4T (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 340nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using s-mephenytoin as substrate incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 9.11E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 350nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using sulfaphenazole as substrate incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataEC50:  2.30nMAssay Description:Inhibition of HIV-1 reverse transcriptase Y188L mutant assessed as reduction in luciferase reporter activity by single-round assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataEC50:  1.30nMAssay Description:Inhibition of HIV-1 reverse transcriptase Y181C mutant assessed as reduction in luciferase reporter activity by single-round assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataEC50:  0.300nMAssay Description:Inhibition of HIV-1 reverse transcriptase E138K mutant assessed as reduction in luciferase reporter activity by single-round assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataEC50:  0.200nMAssay Description:Inhibition of HIV-1 reverse transcriptase K103N mutant assessed as reduction in luciferase reporter activity by single-round assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataEC50:  0.400nMAssay Description:Inhibition of wild type HIV-1 reverse transcriptase assessed as reduction in luciferase reporter activity by single-round assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 500nMAssay Description:Inhibition of human ERG potassium channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 3.41E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 3.41E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 335nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 346nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 9.11E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 15nMAssay Description:Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Yanbian University College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 2.17E+3nMAssay Description:Inhibition of human CYP3A4 using testosterone as substrate in presence of NADPH incubated for 15 to 45 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 3.41E+3nMAssay Description:Inhibition of human CYP2D6 using dextromethorphan as substrate in presence of NADPH incubated for 15 to 45 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 335nMAssay Description:Inhibition of human CYP2C19 using S-mephenytoin as substrate in presence of NADPH incubated for 15 to 45 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 500nMAssay Description:Inhibition of human ERG potassium channel expressed in CHO cells by manual patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 500nMAssay Description:Inhibition of hERG expressed in CHO cells at -80 mV holding potential by manual patch-clamp electrophysiology methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Yanbian University College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 2.17E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 3.41E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 335nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 346nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 9.11E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 3.31E+3nMAssay Description:Inhibition of hERG by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 160nMAssay Description:Inhibition of HIV1 Reverse transcriptase incubated for 30 mins by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C9(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 346nMAssay Description:Inhibition of human CYP2C9 using tolbutamide as substrate in presence of NADPH incubated for 15 to 45 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Yanbian University College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 2.17E+3nMAssay Description:Inhibition of CYP3A4M (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 3.41E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 335nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 346nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 9.11E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Federal University of Parana

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells mediated pheophorbide A efflux by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 500nMAssay Description:Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by automated patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Yanbian University College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 2.17E+3nMAssay Description:Inhibition of CYP3A4T in human liver microsomes using testosterone as substrate incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of HIV1 reverse transcriptase RNase H using 18-nucleotide 3'-fluorescein-labeled RNA/5'-dabcyl-labeled DNA hybrid as substrate measured af...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Yanbian University College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 2.17E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 500nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by whole cell electrophysiology assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 15nMAssay Description:Inhibition of HIV1 RT V106A/F227L mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 41nMAssay Description:Inhibition of HIV1 RT E138K mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 21nMAssay Description:Inhibition of HIV1 RT Y181C mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 27nMAssay Description:Inhibition of HIV1 RT K103N mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 15nMAssay Description:Inhibition of HIV1 RT in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C9(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 346nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 24nMAssay Description:Inhibition of HIV1 RT L100I mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(MoMLV)
Oregon State University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Murine leukemia virus reverse transcriptase RNase H using 18-nucleotide 3'-fluorescein-labeled RNA/5'-dabcyl-labeled DNA hybrid as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 1nMAssay Description:Inhibition of HIV1 Reverse transcriptase polymerase assessed as decrease in digoxigenin and biotin-dUTP incorporation into DNA using poly(A)/oligo(dT...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 22nMAssay Description:Inhibition of HIV1 reverse transcriptase p66/p51 using poly(rA)/oligo(dT)16 as template/primer measured after 40 mins by pico-green based spectrofluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
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