BDBM50190564 1-[4-acetyloxy-3-(tritylaminomethyl)butyl]uracil::CHEMBL208621

SMILES: CC(=O)OCC(CCn1ccc(=O)[nH]c1=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=HOBHLVNTLDSDAT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50190564   

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)	BDBM50190564 (1-[4-acetyloxy-3-(tritylaminomethyl)butyl]uracil |...) Show SMILES CC(=O)OCC(CCn1ccc(=O)[nH]c1=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H31N3O4/c1-23(34)37-22-24(17-19-33-20-18-28(35)32-29(33)36)21-31-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,18,20,24,31H,17,19,21-22H2,1H3,(H,32,35,36)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum dUTPase				J Med Chem 49: 4183-95 (2006) Article DOI: 10.1021/jm060126s BindingDB Entry DOI: 10.7270/Q22J6BF0
					More data for this Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) (Homo sapiens (Human))	BDBM50190564 (1-[4-acetyloxy-3-(tritylaminomethyl)butyl]uracil |...) Show SMILES CC(=O)OCC(CCn1ccc(=O)[nH]c1=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H31N3O4/c1-23(34)37-22-24(17-19-33-20-18-28(35)32-29(33)36)21-31-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,18,20,24,31H,17,19,21-22H2,1H3,(H,32,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human recombinant dUTPase				J Med Chem 49: 4183-95 (2006) Article DOI: 10.1021/jm060126s BindingDB Entry DOI: 10.7270/Q22J6BF0
					More data for this Ligand-Target Pair