null

SMILES Fc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H](CN3C(=O)Cc3cnc[nH]3)c3ccccc3)cc2)cc1

InChI Key InChIKey=KKOSHWJEFBAPQK-IBVKSMDESA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50380416   

TargetCytochrome P450 2C9(Homo sapiens (Human))
Exelixis

Curated by ChEMBL
LigandPNGBDBM50380416(CHEMBL2018482)copy SMILEScopy InChI
Affinity DataIC50: 213nMAssay Description:Inhibition of human CYP2C9 using tolbutamide as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2416Z1HPubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Exelixis

Curated by ChEMBL
LigandPNGBDBM50380416(CHEMBL2018482)copy SMILEScopy InChI
Affinity DataIC50: 158nMAssay Description:Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2416Z1HPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Exelixis

Curated by ChEMBL
LigandPNGBDBM50380416(CHEMBL2018482)copy SMILEScopy InChI
Affinity DataIC50: 301nMAssay Description:Inhibition of human CYP3A4 using testosterone as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2416Z1HPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Exelixis

Curated by ChEMBL
LigandPNGBDBM50380416(CHEMBL2018482)copy SMILEScopy InChI
Affinity DataIC50: 663nMAssay Description:Inhibition of human CYP2D6 using bufuralol as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2416Z1HPubMed