Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50462745'   

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))	BDBM50462745 (CHEMBL4250214) Show SMILES Cc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12 Show InChI InChI=1S/C15H14N6/c1-9-11-6-5-10(8-13(11)21(2)20-9)17-15-14-12(18-19-15)4-3-7-16-14/h3-8H,1-2H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				Bioorg Med Chem Lett 28: 2641-2646 (2018) Article DOI: 10.1016/j.bmcl.2018.06.034 BindingDB Entry DOI: 10.7270/Q2DR2Z5H
					More data for this Ligand-Target Pair