Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1027-1206,R1052K]/[1678-1691]' and Ligand = 'BDBM3882'   

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 [1027-1206,R1052K]/[1678-1691] (Hepatitis C virus)	BDBM3882 ((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...) Show SMILES CCC[C@@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C39H58N6O13/c1-7-12-27(39(56)57)42-36(53)29-17-25(58-20-24-13-10-9-11-14-24)19-45(29)38(55)32(21(3)4)43-37(54)33(22(5)8-2)44-34(51)26(15-16-30(47)48)41-35(52)28(18-31(49)50)40-23(6)46/h9-11,13-14,21-22,25-29,32-33H,7-8,12,15-20H2,1-6H3,(H,40,46)(H,41,52)(H,42,53)(H,43,54)(H,44,51)(H,47,48)(H,49,50)(H,56,57)/t22-,25+,26+,27+,28-,29-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	7.5	23
Boehringer Ingelheim (Canada) Ltd.					Assay Description The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...				J Med Chem 47: 3788-99 (2004) Article DOI: 10.1021/jm049864b BindingDB Entry DOI: 10.7270/Q2125QTZ
					More data for this Ligand-Target Pair