BDBM50575375 CHEMBL4875016

SMILES Clc1cccc(c1)-c1nc(cn1-c1ccnc(N[C@@H]2CCN(C2)C(=O)c2nccs2)n1)C1CC1

InChI Key InChIKey=CGLRMVOGIUJFAA-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50575375   

TargetCytochrome P450 3A4(Human)
Montclair State University

Curated by ChEMBL
LigandPNGBDBM50575375(CHEMBL4875016)
Affinity DataIC50: 190nMAssay Description:Inhibition of human CYP3A4 using testosterone as a substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Montclair State University

Curated by ChEMBL
LigandPNGBDBM50575375(CHEMBL4875016)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of human CYP2C9 using 7-methoxy-4(trifluoromethyl coumarin) as a substrate incubated for 15 mins by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Montclair State University

Curated by ChEMBL
LigandPNGBDBM50575375(CHEMBL4875016)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2D6 using 3-[2-(N,N-diethylamino)ethyl]-7-methoxy-4-methyl coumarin as a substrate incubated for 45 mins by fluorescence based...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed