BDBM50080449 (S)-5-Amino-2-{5-[(2-amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-1-oxo-1,3-dihydro-isoindol-2-yl}-pentanoic acid::CHEMBL117462

SMILES: NCCC[C@H](N1Cc2cc(NCc3cnc4nc(N)[nH]c(=O)c4c3)ccc2C1=O)C(O)=O

InChI Key: InChIKey=IRSZGKLLTGEBKA-INIZCTEOSA-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 = 50080449   

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))	BDBM50080449 ((S)-5-Amino-2-{5-[(2-amino-4-oxo-3,4-dihydro-pyrid...) Show SMILES NCCC[C@H](N1Cc2cc(NCc3cnc4nc(N)[nH]c(=O)c4c3)ccc2C1=O)C(O)=O Show InChI InChI=1S/C21H23N7O4/c22-5-1-2-16(20(31)32)28-10-12-7-13(3-4-14(12)19(28)30)24-8-11-6-15-17(25-9-11)26-21(23)27-18(15)29/h3-4,6-7,9,16,24H,1-2,5,8,10,22H2,(H,31,32)(H3,23,25,26,27,29)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity of the compound as Competitive substrate in the presence of 50 gmM aminopterin towards recombinant Human Folyl-polyglutamate synthas...				J Med Chem 42: 3510-9 (1999) Article DOI: 10.1021/jm9807205 BindingDB Entry DOI: 10.7270/Q2X929GV
					More data for this Ligand-Target Pair