Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A1' and Ligand = 'BDBM50536934'   

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))	BDBM50536934 (CHEMBL4561548) Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(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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