Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50403292'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50403292 (CHEMBL5285364) Show SMILES OC(=O)CN1[C@H](SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C21H22N2O4S2/c24-18(25)12-23-20(27)16(13-29-21(23)15-9-5-2-6-10-15)22-19(26)17(28)11-14-7-3-1-4-8-14/h1-10,16-17,21,28H,11-13H2,(H,22,26)(H,24,25)/t16-,17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	>4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rabbit lung angiotensin I converting enzyme (ACE) using hippuryl-histidyl-leucine as substrate				Citation and Details
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