BDBM50023894 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-phenylcarbamoyl-butyric acid::CHEMBL45735

SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccccc3)C(O)=O)cnc2n1

InChI Key: InChIKey=XOSBKXWUQHSWSX-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 = 50023894   

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))	BDBM50023894 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccccc3)C(O)=O)cnc2n1 Show InChI InChI=1S/C25H25N9O4/c26-21-20-22(34-25(27)33-21)29-13-17(31-20)12-28-15-8-6-14(7-9-15)23(36)32-18(24(37)38)10-11-19(35)30-16-4-2-1-3-5-16/h1-9,13,18,28H,10-12H2,(H,30,35)(H,32,36)(H,37,38)(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	60	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