BDBM50023713 5-Benzoylamino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanoic acid::CHEMBL27109

SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3)C(O)=O)cnc2n1

InChI Key: InChIKey=VAAIPUDWNISVQB-UHFFFAOYSA-N

Data: 1 IC50

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 = 50023713   

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
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023713 (5-Benzoylamino-2-{4-[(2,4-diamino-pteridin-6-ylmet...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3)C(O)=O)cnc2n1 Show InChI InChI=1S/C26H27N9O4/c27-21-20-22(35-26(28)34-21)31-14-18(32-20)13-30-17-10-8-16(9-11-17)24(37)33-19(25(38)39)7-4-12-29-23(36)15-5-2-1-3-6-15/h1-3,5-6,8-11,14,19,30H,4,7,12-13H2,(H,29,36)(H,33,37)(H,38,39)(H4,27,28,31,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells				J Med Chem 31: 1332-7 (1988) BindingDB Entry DOI: 10.7270/Q2697454
					More data for this Ligand-Target Pair