Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Deoxyuridine 5'-triphosphate nucleotidohydrolase' and Ligand = 'BDBM50190557'   

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
Deoxyuridine 5'-triphosphate nucleotidohydrolase (Plasmodium falciparum)	BDBM50190557 (1-(5-(tritylamino)pentyl)pyrimidine-2,4(1H,3H)-dio...) Show SMILES O=c1ccn(CCCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C28H29N3O2/c32-26-19-22-31(27(33)30-26)21-12-4-11-20-29-28(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-10,13-19,22,29H,4,11-12,20-21H2,(H,30,32,33)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wales Cardiff Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum dUTPase				Eur J Med Chem 44: 678-88 (2009) Article DOI: 10.1016/j.ejmech.2008.05.018 BindingDB Entry DOI: 10.7270/Q20K28CG
					More data for this Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (Plasmodium falciparum)	BDBM50190557 (1-(5-(tritylamino)pentyl)pyrimidine-2,4(1H,3H)-dio...) Show SMILES O=c1ccn(CCCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C28H29N3O2/c32-26-19-22-31(27(33)30-26)21-12-4-11-20-29-28(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-10,13-19,22,29H,4,11-12,20-21H2,(H,30,32,33)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum dUTPase				J Med Chem 49: 4183-95 (2006) Article DOI: 10.1021/jm060126s BindingDB Entry DOI: 10.7270/Q22J6BF0
					More data for this Ligand-Target Pair