Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orf1a protein' and Ligand = 'BDBM429369'   

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
Orf1a protein (MERS-CoV)	BDBM429369 (med.21724, Compound 40) Show SMILES CC(C)C[C@H](CC(=O)[C@H](C)NC(=O)c1cc(C)on1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)\C=C\C(=O)OCc1ccccc1 Show InChI InChI=1S/C31H40N4O7/c1-19(2)14-24(17-27(36)21(4)33-31(40)26-15-20(3)42-35-26)30(39)34-25(16-23-12-13-32-29(23)38)10-11-28(37)41-18-22-8-6-5-7-9-22/h5-11,15,19,21,23-25H,12-14,16-18H2,1-4H3,(H,32,38)(H,33,40)(H,34,39)/b11-10+/t21-,23-,24+,25+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
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