BDBM50018235 5-Amino-2-{4-[(2,4-diamino-5-chloro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanoic acid::CHEMBL38937

SMILES: NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1)C(O)=O

InChI Key: InChIKey=RNMQMBNCCZQTPR-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 = 50018235   

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))	BDBM50018235 (5-Amino-2-{4-[(2,4-diamino-5-chloro-quinazolin-6-y...) Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1)C(O)=O Show InChI InChI=1S/C21H24ClN7O3/c22-17-12(5-8-14-16(17)18(24)29-21(25)28-14)10-26-13-6-3-11(4-7-13)19(30)27-15(20(31)32)2-1-9-23/h3-8,15,26H,1-2,9-10,23H2,(H,27,30)(H,31,32)(H4,24,25,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	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