Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50137740'   

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
Genome polyprotein (Human rhinovirus B)	BDBM50137740 (CHEMBL89106 | {(S)-2,2-Dimethyl-1-[(1S,3aR,6aS)-1-...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)(C)C)C(=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C30H44N4O6/c1-7-12-22(24(35)27(37)31-20-14-9-8-10-15-20)32-26(36)23-21-16-11-13-19(21)17-34(23)28(38)25(30(4,5)6)33-29(39)40-18(2)3/h8-10,14-15,18-19,21-23,25H,7,11-13,16-17H2,1-6H3,(H,31,37)(H,32,36)(H,33,39)/t19-,21-,22?,23-,25+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 263-6 (2003) BindingDB Entry DOI: 10.7270/Q2VX0FX5
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