Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1B1' and Ligand = 'BDBM50179288'   

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))	BDBM50179288 (CHEMBL3814820) Show SMILES C1CN(CCO1)\N=N\c1ccccc1 Show InChI InChI=1S/C10H13N3O/c1-2-4-10(5-3-1)11-12-13-6-8-14-9-7-13/h1-5H,6-9H2/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
Whittier College Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADP...				Bioorg Med Chem Lett 26: 3243-3247 (2016) Article DOI: 10.1016/j.bmcl.2016.05.064 BindingDB Entry DOI: 10.7270/Q2XG9T1M
					More data for this Ligand-Target Pair