Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50026402'   

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))	BDBM50026402 (4-(4-Chloro-benzoylamino)-2-{4-[(2,4-diamino-pteri...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCNC(=O)c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C26H26ClN9O4/c1-36(13-17-12-31-22-20(32-17)21(28)34-26(29)35-22)18-8-4-15(5-9-18)24(38)33-19(25(39)40)10-11-30-23(37)14-2-6-16(27)7-3-14/h2-9,12,19H,10-11,13H2,1H3,(H,30,37)(H,33,38)(H,39,40)(H4,28,29,31,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00642	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice				J Med Chem 28: 1016-25 (1985) BindingDB Entry DOI: 10.7270/Q2BP01TS
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