BDBM50391347 CHEMBL2147976

SMILES: CC(C)(NS(=O)(=O)c1cccc(OC2CCCC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1

InChI Key: InChIKey=NIFXKYFIVQMAQZ-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50391347   

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
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50391347 (CHEMBL2147976) Show SMILES CC(C)(NS(=O)(=O)c1cccc(OC2CCCC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C25H29N3O5S/c1-25(2,19-12-10-18(11-13-19)17-28-15-14-23(29)26-24(28)30)27-34(31,32)22-9-5-8-21(16-22)33-20-6-3-4-7-20/h5,8-16,20,27H,3-4,6-7,17H2,1-2H3,(H,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50391347 (CHEMBL2147976) Show SMILES CC(C)(NS(=O)(=O)c1cccc(OC2CCCC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C25H29N3O5S/c1-25(2,19-12-10-18(11-13-19)17-28-15-14-23(29)26-24(28)30)27-34(31,32)22-9-5-8-21(16-22)33-20-6-3-4-7-20/h5,8-16,20,27H,3-4,6-7,17H2,1-2H3,(H,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	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