Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1B1' and Ligand = 'BDBM50536933'   

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 1B1 (Homo sapiens (Human))	BDBM50536933 (CHEMBL4061054) Show SMILES COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O5S/c1-22-14-9-10(7-8-13(14)23-24(2,20)21)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)	PDB MMDB 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 CYP1B1 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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