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 6 hits for monomerid = 222178   

TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (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 DepthDetails PubMed
TargetCytochrome P450 2C19(Homo sapiens (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 DepthDetails PubMed
TargetCytochrome P450 2D6(Homo sapiens (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 DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Sichuan University

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 DepthDetails PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Sichuan 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 DepthDetails PubMed