Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50136004'   

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)	BDBM50136004 ((S)-2-[(S)-2-((R)-2-{(S)-2-[(R)-2-((S)-2-Acetylami...) Show SMILES CCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@H](C)CC)C(O)=O Show InChI InChI=1S/C37H62N6O12/c1-7-12-25(37(54)55)40-33(50)27(18-23-13-10-9-11-14-23)42-36(53)31(21(5)8-2)43-35(52)26(17-20(3)4)41-32(49)24(15-16-29(45)46)39-34(51)28(19-30(47)48)38-22(6)44/h20-21,23-28,31H,7-19H2,1-6H3,(H,38,44)(H,39,51)(H,40,50)(H,41,49)(H,42,53)(H,43,52)(H,45,46)(H,47,48)(H,54,55)/t21-,24-,25+,26+,27+,28+,31+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding constant against hepatitis C virus (HCV) protease				J Med Chem 46: 5360-4 (2003) Article DOI: 10.1021/jm030040o BindingDB Entry DOI: 10.7270/Q20001J6
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