Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50461535'   

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)	BDBM50461535 (CHEMBL4226548) Show SMILES COC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C40H50N6O9S/c1-7-26-21-40(26,37(49)45-56(51,52)29-14-15-29)44-34(47)32-20-28(55-35-30-16-13-27(54-6)19-25(30)17-18-41-35)22-46(32)36(48)33(39(2,3)4)43-38(50)42-31(23-53-5)24-11-9-8-10-12-24/h7-13,16-19,26,28-29,31-33H,1,14-15,20-23H2,2-6H3,(H,44,47)(H,45,49)(H2,42,43,50)/t26-,28-,31-,32+,33-,40-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	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)	BDBM50461535 (CHEMBL4226548) Show SMILES COC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C40H50N6O9S/c1-7-26-21-40(26,37(49)45-56(51,52)29-14-15-29)44-34(47)32-20-28(55-35-30-16-13-27(54-6)19-25(30)17-18-41-35)22-46(32)36(48)33(39(2,3)4)43-38(50)42-31(23-53-5)24-11-9-8-10-12-24/h7-13,16-19,26,28-29,31-33H,1,14-15,20-23H2,2-6H3,(H,44,47)(H,45,49)(H2,42,43,50)/t26-,28-,31-,32+,33-,40-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	184	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
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461535 (CHEMBL4226548) Show SMILES COC[C@@H](NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C40H50N6O9S/c1-7-26-21-40(26,37(49)45-56(51,52)29-14-15-29)44-34(47)32-20-28(55-35-30-16-13-27(54-6)19-25(30)17-18-41-35)22-46(32)36(48)33(39(2,3)4)43-38(50)42-31(23-53-5)24-11-9-8-10-12-24/h7-13,16-19,26,28-29,31-33H,1,14-15,20-23H2,2-6H3,(H,44,47)(H,45,49)(H2,42,43,50)/t26-,28-,31-,32+,33-,40-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	524	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