BDBM50023898 4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyric acid::CHEMBL47316

SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccc4OCOc4c3)C(O)=O)cnc2n1

InChI Key: InChIKey=HVZXLOSEEOVRQC-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 = 50023898   

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))	BDBM50023898 (4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-2-{4-[(2,4-diam...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccc4OCOc4c3)C(O)=O)cnc2n1 Show InChI InChI=1S/C26H25N9O6/c27-22-21-23(35-26(28)34-22)30-11-16(32-21)10-29-14-3-1-13(2-4-14)24(37)33-17(25(38)39)6-8-20(36)31-15-5-7-18-19(9-15)41-12-40-18/h1-5,7,9,11,17,29H,6,8,10,12H2,(H,31,36)(H,33,37)(H,38,39)(H4,27,28,30,34,35)	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	45	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