Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50462753'   

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))	BDBM50462753 (CHEMBL4247943) Show SMILES Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4nccnc34)cc12 Show InChI InChI=1S/C16H15N7/c1-23-12-8-10(4-5-11(12)13(22-23)9-2-3-9)19-16-14-15(20-21-16)18-7-6-17-14/h4-9H,2-3H2,1H3,(H2,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	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