Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50023720'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023720 (5-(3-Carboxy-propionylamino)-2-{4-[(2,4-diamino-pt...) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C23H27N9O6/c24-19-18-20(32-23(25)31-19)28-11-14(29-18)10-27-13-5-3-12(4-6-13)21(36)30-15(22(37)38)2-1-9-26-16(33)7-8-17(34)35/h3-6,11,15,27H,1-2,7-10H2,(H,26,33)(H,30,36)(H,34,35)(H,37,38)(H4,24,25,28,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells				J Med Chem 31: 1332-7 (1988) BindingDB Entry DOI: 10.7270/Q2697454
					More data for this Ligand-Target Pair