BDBM50395033 CHEMBL2163868

SMILES: O=c1ccn(CCCc2cnnn2CC(c2ccccc2)c2ccccc2)c(=O)[nH]1

InChI Key: InChIKey=CLUFWYVEHITWNZ-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 = 50395033   

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))	BDBM50395033 (CHEMBL2163868) Show SMILES O=c1ccn(CCCc2cnnn2CC(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C23H23N5O2/c29-22-13-15-27(23(30)25-22)14-7-12-20-16-24-26-28(20)17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,15-16,21H,7,12,14,17H2,(H,25,29,30)	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	1.10E+3	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of dUTPase in human HeLa S3 cells assessed as potentiation of 1 uM FdUrd-induced decrease in cell density incubated for 48 hrs by crystal ...				J Med Chem 55: 6427-37 (2012) Article DOI: 10.1021/jm3004174 BindingDB Entry DOI: 10.7270/Q2XS5WJR
					More data for this Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) (Homo sapiens (Human))	BDBM50395033 (CHEMBL2163868) Show SMILES O=c1ccn(CCCc2cnnn2CC(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C23H23N5O2/c29-22-13-15-27(23(30)25-22)14-7-12-20-16-24-26-28(20)17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,15-16,21H,7,12,14,17H2,(H,25,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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 reduction in [5-3H]dUMP production incubated for 15 mins by HPLC				J Med Chem 55: 6427-37 (2012) Article DOI: 10.1021/jm3004174 BindingDB Entry DOI: 10.7270/Q2XS5WJR
					More data for this Ligand-Target Pair