Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50111458'   

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)	BDBM50111458 (4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-pyridin-1-...) Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](CC1CCCCC1)n1cccc(NC(=O)OCc2ccccc2)c1=O |r| Show InChI InChI=1S/C31H40N4O7/c1-2-41-28(37)18-16-24(15-17-27(32)36)33-29(38)26(20-22-10-5-3-6-11-22)35-19-9-14-25(30(35)39)34-31(40)42-21-23-12-7-4-8-13-23/h4,7-9,12-14,16,18-19,22,24,26H,2-3,5-6,10-11,15,17,20-21H2,1H3,(H2,32,36)(H,33,38)(H,34,40)/b18-16+/t24-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	178	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HRV Protease 3CP (serotype 14).				J Med Chem 45: 1607-23 (2002) BindingDB Entry DOI: 10.7270/Q27M078G
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