Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1B1' and Ligand = 'BDBM50507597'   

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))	BDBM50507597 (CHEMBL4441355) Show SMILES [H][C@@]12C[C@@H](F)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CCCC[C@]12C |r,t:18| Show InChI InChI=1S/C19H27FO/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h6,13-16H,3-5,7-11H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of CYP1B1 in human MCF7 cells assessed as reduction in DMBA-induced CYP1B1-mediated EROD activity 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
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50507597 (CHEMBL4441355) Show SMILES [H][C@@]12C[C@@H](F)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CCCC[C@]12C |r,t:18| Show InChI InChI=1S/C19H27FO/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h6,13-16H,3-5,7-11H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of CYP1B1 in human MCF7 cells assessed as reduction in TCDD-induced CYP1B1-mediated EROD activity 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
					More data for this Ligand-Target Pair