BDBM50380412 CHEMBL2018486

SMILES Fc1ccc(C[C@H]2C[C@H](N(C2)C(=O)Cn2cncn2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1

InChI Key InChIKey=DJLRGOWWXNREJY-FNZWTVRRSA-N

Data  4 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 4 hits for monomerid = 50380412   

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

Curated by ChEMBL
LigandPNGBDBM50380412(CHEMBL2018486)
Affinity DataIC50:  1.35E+3nMAssay Description:Inhibition of human CYP2C9 using tolbutamide as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Exelixis

Curated by ChEMBL
LigandPNGBDBM50380412(CHEMBL2018486)
Affinity DataIC50:  48nMAssay 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 ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Exelixis

Curated by ChEMBL
LigandPNGBDBM50380412(CHEMBL2018486)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human CYP3A4 using testosterone as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Exelixis

Curated by ChEMBL
LigandPNGBDBM50380412(CHEMBL2018486)
Affinity DataIC50:  3.78E+3nMAssay Description:Inhibition of human CYP2D6 using bufuralol as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed