BDBM222178 Rilpivirine

SMILES Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1

InChI Key InChIKey=YIBOMRUWOWDFLG-ONEGZZNKSA-N

Data  52 IC50  7 EC50

PDB links: 29 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 222178   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50:  9.11E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50:  9.11E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50:  9.11E+3nMAssay Description:Inhibition of human CYP1A2 using phenacetin as substrate in presence of NADPH incubated for 15 to 45 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Shandong 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 DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Shandong 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 DepthDetails PubMed