BDBM50024468 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-carboxymethyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL22626

SMILES: Nc1nc2ccc(CN(CC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key: InChIKey=CUDSTWFEYRLXCK-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50024468   

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
GAR transformylase (Mus musculus)	BDBM50024468 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...) Show SMILES Nc1nc2ccc(CN(CC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C23H23N5O8/c24-23-26-16-6-1-12(9-15(16)21(34)27-23)10-28(11-19(31)32)14-4-2-13(3-5-14)20(33)25-17(22(35)36)7-8-18(29)30/h1-6,9,17H,7-8,10-11H2,(H,25,33)(H,29,30)(H,31,32)(H,35,36)(H3,24,26,27,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y				J Med Chem 30: 1254-6 (1987) BindingDB Entry DOI: 10.7270/Q2VX0FHS
					More data for this Ligand-Target Pair