BDBM50171277 CHEMBL195561::[4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-2-oxo-6-trifluoromethyl-2H-quinolin-1-yl]-acetonitrile

SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(CC#N)c1=O)C(F)(F)F

InChI Key InChIKey=AWLCGHPEKZDBDT-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50171277   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171277(CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using resorufin benzyl etherMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171277(CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using 7-benzyloxy- 4-trifluoromethylcoumarinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171277(CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibition against Cytochrome P450 2C19 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171277(CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition against Cytochrome P450 1A2 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171277(CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...)
Affinity DataIC50:  2.30E+4nMAssay Description:Inhibition against Cytochrome P450 2D6 prepared from baculovirus-infected insect cells using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7- methoxy-4-meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50171277(CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition against Cytochrome P450 2C9 prepared from baculovirus-infected insect cells using 7-methoxy-4-trifluoromethylcoumarinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed