Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orf1a protein' and Ligand = 'BDBM429333'   

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)	BDBM429333 (med.21724, Compound 35) Show SMILES CCOC(=O)C=C[C@H](C[C@@H]1CNC(=O)C1)NC(=O)[C@H](CC(C)C)CC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(C)C |w:5.4| Show InChI InChI=1S/C31H52N4O9/c1-9-43-26(39)11-10-22(13-20-14-25(38)32-16-20)33-28(40)21(12-18(2)3)15-24(37)27(19(4)5)35-29(41)23(17-36)34-30(42)44-31(6,7)8/h10-11,18-23,27,36H,9,12-17H2,1-8H3,(H,32,38)(H,33,40)(H,34,42)(H,35,41)/b11-10+/t20-,21+,22+,23-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	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
					More data for this Ligand-Target Pair