Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1B1' and Ligand = 'BDBM50507599'   

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))	BDBM50507599 (CHEMBL4456952) Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc(OC)c3cccc(OC)c3c2[nH]1 Show InChI InChI=1S/C22H19NO4/c1-25-14-9-7-13(8-10-14)17-12-18(24)16-11-20(27-3)15-5-4-6-19(26-2)21(15)22(16)23-17/h4-12H,1-3H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human CYP1B1 using 7-Ethoxyresorufin as substrate after 30 mins in presence of NADP+ by EROD assay				Eur J Med Chem 163: 28-36 (2019) Article DOI: 10.1016/j.ejmech.2018.11.039 BindingDB Entry DOI: 10.7270/Q2930XFF
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