BDBM50391351 CHEMBL2147980

SMILES: CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1

InChI Key: InChIKey=BDAKCUFFASYXNG-XVNBXDOJSA-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 = 50391351   

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 (dUTPase) (Homo sapiens (Human))	BDBM50391351 (CHEMBL2147980) Show SMILES CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1 Show InChI InChI=1S/C23H31N3O5S/c1-23(2,14-6-3-7-15-26-16-13-21(27)24-22(26)28)25-32(29,30)20-12-8-11-19(17-20)31-18-9-4-5-10-18/h3,7-8,11-13,16-18,25H,4-6,9-10,14-15H2,1-2H3,(H,24,27,28)/b7-3+	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	200	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
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) (Homo sapiens (Human))	BDBM50391351 (CHEMBL2147980) Show SMILES CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1 Show InChI InChI=1S/C23H31N3O5S/c1-23(2,14-6-3-7-15-26-16-13-21(27)24-22(26)28)25-32(29,30)20-12-8-11-19(17-20)31-18-9-4-5-10-18/h3,7-8,11-13,16-18,25H,4-6,9-10,14-15H2,1-2H3,(H,24,27,28)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	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