BDBM50360601 CHEMBL1933349::MK-0893

SMILES COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1

InChI Key InChIKey=DNTVJEMGHBIUMW-IBGZPJMESA-N

Data  1 KI  22 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50360601   

TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

LigandBDBM50360601(CHEMBL1933349 | MK-0893)Copy SMILESCopy InChI

Affinity DataIC50:  1.40E+4nMAssay Description:Inhibition of human CYP2C9 in liver microsomes assessed as diclofenac 4'-hydroxylation after 48 hrsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLMCE
PC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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