BDBM50173576 1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-furan-2-yl]-1H-pyrimidine-2,4-dione::CHEMBL364710::dUTPase inhibitor, 11

SMILES: OC1CC(OC1CNCc1ccccc1)n1ccc(=O)[nH]c1=O

InChI Key: InChIKey=JFCBWRBGLGUNPH-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50173576   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
dUTP pyrophosphatase (Plasmodium falciparum)	BDBM50173576 (1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-fur...) Show SMILES OC1CC(OC1CNCc1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C16H19N3O4/c20-12-8-15(19-7-6-14(21)18-16(19)22)23-13(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-13,15,17,20H,8-10H2,(H,18,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+5	-5.39	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
dUTP pyrophosphatase (Plasmodium falciparum)	BDBM50173576 (1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-fur...) Show SMILES OC1CC(OC1CNCc1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C16H19N3O4/c20-12-8-15(19-7-6-14(21)18-16(19)22)23-13(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-13,15,17,20H,8-10H2,(H,18,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory constant against Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells				J Med Chem 48: 5942-54 (2005) Article DOI: 10.1021/jm050111e BindingDB Entry DOI: 10.7270/Q2Z320DG
					More data for this Ligand-Target Pair
dUTP pyrophosphatase (Leishmania major)	BDBM50173576 (1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-fur...) Show SMILES OC1CC(OC1CNCc1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C16H19N3O4/c20-12-8-15(19-7-6-14(21)18-16(19)22)23-13(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-13,15,17,20H,8-10H2,(H,18,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory constant against Leishmania major deoxyuridine 5'-triphosphate nucleotidohydrolase				J Med Chem 48: 5942-54 (2005) Article DOI: 10.1021/jm050111e BindingDB Entry DOI: 10.7270/Q2Z320DG
					More data for this Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) (Homo sapiens (Human))	BDBM50173576 (1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-fur...) Show SMILES OC1CC(OC1CNCc1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C16H19N3O4/c20-12-8-15(19-7-6-14(21)18-16(19)22)23-13(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-13,15,17,20H,8-10H2,(H,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory constant against human deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells				J Med Chem 48: 5942-54 (2005) Article DOI: 10.1021/jm050111e BindingDB Entry DOI: 10.7270/Q2Z320DG
					More data for this Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) (Homo sapiens (Human))	BDBM50173576 (1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-fur...) Show SMILES OC1CC(OC1CNCc1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C16H19N3O4/c20-12-8-15(19-7-6-14(21)18-16(19)22)23-13(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-13,15,17,20H,8-10H2,(H,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+6	-4.09	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) (Campylobacter jejuni)	BDBM50173576 (1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-fur...) Show SMILES OC1CC(OC1CNCc1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C16H19N3O4/c20-12-8-15(19-7-6-14(21)18-16(19)22)23-13(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-13,15,17,20H,8-10H2,(H,18,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+9	0	n/a	n/a	n/a	n/a	n/a	8.0	25
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"					Assay Description Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...				J Enzyme Inhib Med Chem 24: 111-6 (2009) Article DOI: 10.1080/14756360801915476 BindingDB Entry DOI: 10.7270/Q2JH3JST
					More data for this Ligand-Target Pair