Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50461556'   

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/Non-structural protein 4A (Hepatitis C virus)	BDBM50461556 (CHEMBL4225149) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(=O)N3CCN(CC3)c3ncccn3)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C45H60N10O9S/c1-9-28-25-45(28,40(59)52-65(61,62)31-12-13-31)51-36(56)33-24-30(64-37-32-14-11-29(63-8)23-27(32)15-18-46-37)26-55(33)39(58)35(44(5,6)7)50-42(60)49-34(43(2,3)4)38(57)53-19-21-54(22-20-53)41-47-16-10-17-48-41/h9-11,14-18,23,28,30-31,33-35H,1,12-13,19-22,24-26H2,2-8H3,(H,51,56)(H,52,59)(H2,49,50,60)/t28-,30-,33+,34-,35-,45-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461556 (CHEMBL4225149) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(=O)N3CCN(CC3)c3ncccn3)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C45H60N10O9S/c1-9-28-25-45(28,40(59)52-65(61,62)31-12-13-31)51-36(56)33-24-30(64-37-32-14-11-29(63-8)23-27(32)15-18-46-37)26-55(33)39(58)35(44(5,6)7)50-42(60)49-34(43(2,3)4)38(57)53-19-21-54(22-20-53)41-47-16-10-17-48-41/h9-11,14-18,23,28,30-31,33-35H,1,12-13,19-22,24-26H2,2-8H3,(H,51,56)(H,52,59)(H2,49,50,60)/t28-,30-,33+,34-,35-,45-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His tagged recombinant HCV genotype 3a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461556 (CHEMBL4225149) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(=O)N3CCN(CC3)c3ncccn3)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C45H60N10O9S/c1-9-28-25-45(28,40(59)52-65(61,62)31-12-13-31)51-36(56)33-24-30(64-37-32-14-11-29(63-8)23-27(32)15-18-46-37)26-55(33)39(58)35(44(5,6)7)50-42(60)49-34(43(2,3)4)38(57)53-19-21-54(22-20-53)41-47-16-10-17-48-41/h9-11,14-18,23,28,30-31,33-35H,1,12-13,19-22,24-26H2,2-8H3,(H,51,56)(H,52,59)(H2,49,50,60)/t28-,30-,33+,34-,35-,45-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His tagged recombinant HCV genotype 2b NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair