Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM476672'   

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 (Homo sapiens (Human))	BDBM476672 (US10870625, Compound 59) Show SMILES CCc1nc(N)nc(N)c1C#CCc1ccc(OC)c(c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H22N4O3/c1-3-19-17(21(24)27-23(25)26-19)6-4-5-14-7-12-20(30-2)18(13-14)15-8-10-16(11-9-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	688	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF CONNECTICUT US Patent					Assay Description Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...				US Patent US10870625 (2020) BindingDB Entry DOI: 10.7270/Q27W6G9V
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