BDBM50582075 CHEMBL5085182

SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12

InChI Key InChIKey=DIVRSKOBBRJMHO-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50582075   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50582075(CHEMBL5085182)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50582075(CHEMBL5085182)
Affinity DataIC50:  5.60nMAssay Description:Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed