Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A1' and Ligand = 'BDBM50536931'   

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 1A1 (Homo sapiens (Human))	BDBM50536931 (CHEMBL4578017) Show SMILES Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay				Eur J Med Chem 165: 115-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D
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