Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 4B1' and Ligand = 'BDBM50512931'   

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 4B1 (Homo sapiens)	BDBM50512931 (CHEMBL4528928) Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C |r| Show InChI InChI=1S/C23H27N5O2/c1-14-12-20(26-25-14)16-8-10-17(11-9-16)22(29)18-6-4-5-7-19(18)23(30)24-21-13-28(3)27-15(21)2/h8-13,18-19H,4-7H2,1-3H3,(H,24,30)(H,25,26)/t18-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP450 assessed as maximum reduction in metabolite formation using coumarin based substrate by fluorescence assay				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012 BindingDB Entry DOI: 10.7270/Q2S75KP2
					More data for this Ligand-Target Pair