BDBM50023716 5-Acetylamino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-formyl-amino]-benzoylamino}-pentanoic acid::CHEMBL26534

SMILES: CC(=O)NCCCC(NC(=O)c1ccc(cc1)N(Cc1cnc2nc(N)nc(N)c2n1)C=O)C(O)=O

InChI Key: InChIKey=OOUJWMTVVBEFKQ-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 = 50023716   

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))	BDBM50023716 (5-Acetylamino-2-{4-[(2,4-diamino-pteridin-6-ylmeth...) Show SMILES CC(=O)NCCCC(NC(=O)c1ccc(cc1)N(Cc1cnc2nc(N)nc(N)c2n1)C=O)C(O)=O Show InChI InChI=1S/C22H25N9O5/c1-12(33)25-8-2-3-16(21(35)36)28-20(34)13-4-6-15(7-5-13)31(11-32)10-14-9-26-19-17(27-14)18(23)29-22(24)30-19/h4-7,9,11,16H,2-3,8,10H2,1H3,(H,25,33)(H,28,34)(H,35,36)(H4,23,24,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	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