BDBM50023899 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-(3,4-dihydroxy-phenylcarbamoyl)-butyric acid::CHEMBL45679

SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccc(O)c(O)c3)C(O)=O)cnc2n1

InChI Key: InChIKey=ISFGNOQUBWNCOB-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 = 50023899   

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))	BDBM50023899 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccc(O)c(O)c3)C(O)=O)cnc2n1 Show InChI InChI=1S/C25H25N9O6/c26-21-20-22(34-25(27)33-21)29-11-15(31-20)10-28-13-3-1-12(2-4-13)23(38)32-16(24(39)40)6-8-19(37)30-14-5-7-17(35)18(36)9-14/h1-5,7,9,11,16,28,35-36H,6,8,10H2,(H,30,37)(H,32,38)(H,39,40)(H4,26,27,29,33,34)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase ( DHFR ) from murine L1210 leukemia cells.				J Med Chem 29: 1703-9 (1986) BindingDB Entry DOI: 10.7270/Q2PR7WJ0
					More data for this Ligand-Target Pair