BDBM50463483 CHEMBL4245242

SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

InChI Key InChIKey=OKUPZBPYLVKVSU-UHFFFAOYSA-N

Data  113 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50463483   

TargetRho-associated protein kinase 1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50463483(CHEMBL4245242)
Affinity DataKi:  5nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50463483(CHEMBL4245242)
Affinity DataIC50:  2.10E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed