Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM104500'   

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))	BDBM104500 (US8575114, I-12) Show SMILES Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r| Show InChI InChI=1S/C20H21Cl2N3O6/c1-9-4-15-23-25(20(30)24(15)7-13(9)22)6-11-5-10(2-3-12(11)21)19-18(29)17(28)16(27)14(8-26)31-19/h2-5,7,14,16-19,26-29H,6,8H2,1H3/t14-,16-,17+,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem 22: 3414-22 (2014) Article DOI: 10.1016/j.bmc.2014.04.036 BindingDB Entry DOI: 10.7270/Q2H70HCT
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