BDBM50010925 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-methylene-pentanedioic acid::CHEMBL65711

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

InChI Key: InChIKey=DHQCNCKSWDXSJR-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 = 50010925   

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 (Homo sapiens (Human))	BDBM50010925 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CC(=C)C(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H20N8O5/c1-9(18(30)31)6-13(19(32)33)26-17(29)10-2-4-11(5-3-10)23-7-12-8-24-16-14(25-12)15(21)27-20(22)28-16/h2-5,8,13,23H,1,6-7H2,(H,26,29)(H,30,31)(H,32,33)(H4,21,22,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Ability to inhibit purified Dihydrofolate reductase from human leukemic lymphoblasts was determined spectrophotometrically at 340 nM.				J Med Chem 34: 203-8 (1991) BindingDB Entry DOI: 10.7270/Q2D79C15
					More data for this Ligand-Target Pair