BDBM50020104 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-tridecanedioic acid::CHEMBL275229

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

InChI Key: InChIKey=ORELVHQVZHADOI-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 = 50020104   

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))	BDBM50020104 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCCCCCCCCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C27H36N8O5/c28-23-22-24(35-27(29)34-23)31-16-19(32-22)15-30-18-13-11-17(12-14-18)25(38)33-20(26(39)40)9-7-5-3-1-2-4-6-8-10-21(36)37/h11-14,16,20,30H,1-10,15H2,(H,33,38)(H,36,37)(H,39,40)(H4,28,29,31,34,35)	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	67	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