Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50432234'   

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 1A2 (Homo sapiens (Human))	BDBM50432234 (CHEMBL2347328) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H29F3N4O3/c1-16(2)23(33-26(36)37-3)25(35)34-14-4-5-22(34)24-31-15-21(32-24)19-8-6-17(7-9-19)18-10-12-20(13-11-18)27(28,29)30/h6-13,15-16,22-23H,4-5,14H2,1-3H3,(H,31,32)(H,33,36)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				Bioorg Med Chem Lett 23: 2031-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.023 BindingDB Entry DOI: 10.7270/Q2833TDK
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