BDBM36455 6-[4-[(3-Carboxybenzylamino)butylamino]methyl]uracil, 27::CID25210542

SMILES: OC(=O)c1cccc(CNCCCCNCc2cc(=O)[nH]c(=O)[nH]2)c1

InChI Key: InChIKey=PLKKHOGCWCJFJX-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 36455   

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
Uracil-DNA glycosylase (UNG) (Homo sapiens (Human))	BDBM36455 (6-[4-[(3-Carboxybenzylamino)butylamino]methyl]urac...) Show SMILES OC(=O)c1cccc(CNCCCCNCc2cc(=O)[nH]c(=O)[nH]2)c1 Show InChI InChI=1S/C17H22N4O4/c22-15-9-14(20-17(25)21-15)11-19-7-2-1-6-18-10-12-4-3-5-13(8-12)16(23)24/h3-5,8-9,18-19H,1-2,6-7,10-11H2,(H,23,24)(H2,20,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	3.15E+5	n/a	n/a	n/a	n/a	8.0	n/a
Johns Hopkins University					Assay Description Inhibition of human uracil DNA glycosylase using high-throughput fluorescent molecular beacon DNA substrate.				Nat Chem Biol 5: 407-13 (2009) Article DOI: 10.1038/nchembio.163 BindingDB Entry DOI: 10.7270/Q2W37TP8
					More data for this Ligand-Target Pair				3D Structure (crystal)