BDBM50018236 5-Amino-2-[4-(4-oxo-3,4-dihydro-quinazolin-6-ylmethylsulfanyl)-benzoylamino]-pentanoic acid::CHEMBL43288

SMILES: NCCCC(NC(=O)c1ccc(SCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O

InChI Key: InChIKey=XVWYIOMVJJDIKK-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 = 50018236   

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
Folylpoly-gamma-glutamate synthetase (Homo sapiens (Human))	BDBM50018236 (5-Amino-2-[4-(4-oxo-3,4-dihydro-quinazolin-6-ylmet...) Show SMILES NCCCC(NC(=O)c1ccc(SCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O Show InChI InChI=1S/C21H22N4O4S/c22-9-1-2-18(21(28)29)25-19(26)14-4-6-15(7-5-14)30-11-13-3-8-17-16(10-13)20(27)24-12-23-17/h3-8,10,12,18H,1-2,9,11,22H2,(H,25,26)(H,28,29)(H,23,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase				J Med Chem 32: 1559-65 (1989) BindingDB Entry DOI: 10.7270/Q22806MJ
					More data for this Ligand-Target Pair