Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   

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, mitochondrial   (159/159 = 100%)† (Homo sapiens (Human))	BDBM101888 (CHEMBL1234485 | US8530490, 158) Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H23N3O5S/c1-17(2,19-26(23,24)14-7-4-3-5-8-14)10-6-12-25-13-20-11-9-15(21)18-16(20)22/h3-5,7-9,11,19H,6,10,12-13H2,1-2H3,(H,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis				J Med Chem 55: 5483-96 (2012) Article DOI: 10.1021/jm300416h BindingDB Entry DOI: 10.7270/Q2C53MZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial   (159/159 = 100%)† (Homo sapiens (Human))	BDBM101888 (CHEMBL1234485 | US8530490, 158) Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H23N3O5S/c1-17(2,19-26(23,24)14-7-4-3-5-8-14)10-6-12-25-13-20-11-9-15(21)18-16(20)22/h3-5,7-9,11,19H,6,10,12-13H2,1-2H3,(H,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis				J Med Chem 55: 2970-80 (2012) Article DOI: 10.1021/jm201628y BindingDB Entry DOI: 10.7270/Q2C82BB5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial   (159/159 = 100%)† (Homo sapiens (Human))	BDBM101888 (CHEMBL1234485 | US8530490, 158) Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H23N3O5S/c1-17(2,19-26(23,24)14-7-4-3-5-8-14)10-6-12-25-13-20-11-9-15(21)18-16(20)22/h3-5,7-9,11,19H,6,10,12-13H2,1-2H3,(H,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	9.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...				US Patent US8530490 (2013) BindingDB Entry DOI: 10.7270/Q25H7DX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial   (159/159 = 100%)† (Homo sapiens (Human))	BDBM101888 (CHEMBL1234485 | US8530490, 158) Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H23N3O5S/c1-17(2,19-26(23,24)14-7-4-3-5-8-14)10-6-12-25-13-20-11-9-15(21)18-16(20)22/h3-5,7-9,11,19H,6,10,12-13H2,1-2H3,(H,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...				J Med Chem 55: 5483-96 (2012) Article DOI: 10.1021/jm300416h BindingDB Entry DOI: 10.7270/Q2C53MZW
					More data for this Ligand-Target Pair				3D Structure (crystal)

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