BDBM50020103 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-dodecanedioic acid::CHEMBL26148

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

InChI Key: InChIKey=OYDJGOAUHPOFGK-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 = 50020103   

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))	BDBM50020103 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCCCCCCCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C26H34N8O5/c27-22-21-23(34-26(28)33-22)30-15-18(31-21)14-29-17-12-10-16(11-13-17)24(37)32-19(25(38)39)8-6-4-2-1-3-5-7-9-20(35)36/h10-13,15,19,29H,1-9,14H2,(H,32,37)(H,35,36)(H,38,39)(H4,27,28,30,33,34)	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	81	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells				J Med Chem 31: 1338-44 (1988) BindingDB Entry DOI: 10.7270/Q22J6CFD
					More data for this Ligand-Target Pair