Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 7779   

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
Myeloperoxidase (Homo sapiens (Human))	BDBM217354 (2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyr...) Show SMILES ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O Show InChI InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	15.8	n/a	n/a	n/a	5.0	n/a
University of Otago Christchurch					Assay Description Binding kinetics were determined by surface plasmon resonance (SPR) using a Biacore S51 (Biacore, Uppsala, Sweden). MPO (50 μg/ml dissolved in 1...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM217356 (2-(benzylamino)-6-oxo-3H-pyrimidine-5-carbohydroxa...) Show SMILES ONC(=O)c1c[nH]c(NCc2ccccc2)nc1=O Show InChI InChI=1S/C12H12N4O3/c17-10-9(11(18)16-19)7-14-12(15-10)13-6-8-4-2-1-3-5-8/h1-5,7,19H,6H2,(H,16,18)(H2,13,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	5.0	n/a
University of Otago Christchurch					Assay Description Binding kinetics were determined by surface plasmon resonance (SPR) using a Biacore S51 (Biacore, Uppsala, Sweden). MPO (50 μg/ml dissolved in 1...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM217355 (4-benzyl-2-hydroxybenzenecarbohydroxamic acid (HX2...) Show SMILES ONC(=O)c1ccc(Cc2ccccc2)cc1O Show InChI InChI=1S/C14H13NO3/c16-13-9-11(6-7-12(13)14(17)15-18)8-10-4-2-1-3-5-10/h1-7,9,16,18H,8H2,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	63	n/a	n/a	n/a	5.0	n/a
University of Otago Christchurch					Assay Description Binding kinetics were determined by surface plasmon resonance (SPR) using a Biacore S51 (Biacore, Uppsala, Sweden). MPO (50 μg/ml dissolved in 1...				J Biol Chem 288: 36636-47 (2013) Article DOI: 10.1074/jbc.M113.507756 BindingDB Entry DOI: 10.7270/Q20K27DH
					More data for this Ligand-Target Pair