Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM103338'   

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))	BDBM103338 (US8546392, 59) Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universitaet des Saarlandes US Patent					Assay Description Inhibition assay using P450 CYP enzymes.				US Patent US8546392 (2013) BindingDB Entry DOI: 10.7270/Q2WW7G8P
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM103338 (US8546392, 59) Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitaet des Saarlandes US Patent					Assay Description Inhibition assay using P450 CYP enzymes.				US Patent US8546392 (2013) BindingDB Entry DOI: 10.7270/Q2WW7G8P
					More data for this Ligand-Target Pair