Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50026391'   

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))	BDBM50026391 (5-(4-Chloro-benzoylamino)-2-{4-[(2,4-diamino-pteri...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C27H28ClN9O4/c1-37(14-18-13-32-23-21(33-18)22(29)35-27(30)36-23)19-10-6-16(7-11-19)25(39)34-20(26(40)41)3-2-12-31-24(38)15-4-8-17(28)9-5-15/h4-11,13,20H,2-3,12,14H2,1H3,(H,31,38)(H,34,39)(H,40,41)(H4,29,30,32,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00531	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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