BDBM50088490 CHEMBL3526979

SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1

InChI Key InChIKey=MLRYWGXYDWMAGZ-RIJOFNGHSA-N

Data  11 KI

  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 11 hits for monomerid = 50088490   

TargetCytochrome P450 2C8(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi:  2.70E+3nMAssay Description:Linear mixed inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6-hydroxylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi:  6.90E+3nMAssay Description:Linear mixed inhibition of CYP2C8 in human liver microsomes assessed as rosiglitazone demethylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi:  7.30E+3nMAssay Description:Biphasic inhibition of CYP2C8 in human liver microsomes assessed as montelukast 36-hydroxylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-Mephenytoin as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50088490(CHEMBL3526979)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed