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 = 'BDBM3891'   

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)	BDBM3891 ((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...) Show SMILES CCCN(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)CCc1ccccc1 |r| Show InChI InChI=1S/C46H65N7O12/c1-7-23-53(37(55)21-19-31-15-11-9-12-16-31)51-44(62)36-24-33(65-27-32-17-13-10-14-18-32)26-52(36)46(64)40(28(3)4)49-45(63)41(29(5)8-2)50-42(60)34(20-22-38(56)57)48-43(61)35(25-39(58)59)47-30(6)54/h9-18,28-29,33-36,40-41H,7-8,19-27H2,1-6H3,(H,47,54)(H,48,61)(H,49,63)(H,50,60)(H,51,62)(H,56,57)(H,58,59)/t29-,33+,34+,35-,36-,40-,41-/m0/s1	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	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
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