BDBM50022332 5-(2-Chloro-acetylamino)-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanoic acid::CHEMBL35312

SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)CCl)C(O)=O

InChI Key: InChIKey=DYKMAWUJPLYJRO-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 = 50022332   

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))	BDBM50022332 (5-(2-Chloro-acetylamino)-2-{4-[(2,4-diamino-pterid...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)CCl)C(O)=O Show InChI InChI=1S/C22H26ClN9O4/c1-32(11-13-10-27-19-17(28-13)18(24)30-22(25)31-19)14-6-4-12(5-7-14)20(34)29-15(21(35)36)3-2-8-26-16(33)9-23/h4-7,10,15H,2-3,8-9,11H2,1H3,(H,26,33)(H,29,34)(H,35,36)(H4,24,25,27,30,31)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase(DHFR) from L1210/R81 cells				J Med Chem 30: 1463-9 (1987) BindingDB Entry DOI: 10.7270/Q28C9WTT
					More data for this Ligand-Target Pair