Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50495939'   

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 (Hepatitis C Virus)	BDBM50495939 (CHEMBL3120169) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OCCCNC3CC(F)(F)C3)c1CCCCC2 |r| Show InChI InChI=1S/C48H64F2N6O9S/c1-3-31-25-48(31,44(59)55-66(61,62)46(2)19-20-46)54-41(57)37-24-33-28-56(37)43(58)39(29-13-6-4-7-14-29)53-45(60)65-38-23-30(38)15-8-5-9-17-35-40(34-16-10-11-18-36(34)52-42(35)64-33)63-22-12-21-51-32-26-47(49,50)27-32/h3,10-11,16,18,29-33,37-39,51H,1,4-9,12-15,17,19-28H2,2H3,(H,53,60)(H,54,57)(H,55,59)/t30-,31-,33-,37+,38-,39+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495939 (CHEMBL3120169) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OCCCNC3CC(F)(F)C3)c1CCCCC2 |r| Show InChI InChI=1S/C48H64F2N6O9S/c1-3-31-25-48(31,44(59)55-66(61,62)46(2)19-20-46)54-41(57)37-24-33-28-56(37)43(58)39(29-13-6-4-7-14-29)53-45(60)65-38-23-30(38)15-8-5-9-17-35-40(34-16-10-11-18-36(34)52-42(35)64-33)63-22-12-21-51-32-26-47(49,50)27-32/h3,10-11,16,18,29-33,37-39,51H,1,4-9,12-15,17,19-28H2,2H3,(H,53,60)(H,54,57)(H,55,59)/t30-,31-,33-,37+,38-,39+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease D168Y mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495939 (CHEMBL3120169) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OCCCNC3CC(F)(F)C3)c1CCCCC2 |r| Show InChI InChI=1S/C48H64F2N6O9S/c1-3-31-25-48(31,44(59)55-66(61,62)46(2)19-20-46)54-41(57)37-24-33-28-56(37)43(58)39(29-13-6-4-7-14-29)53-45(60)65-38-23-30(38)15-8-5-9-17-35-40(34-16-10-11-18-36(34)52-42(35)64-33)63-22-12-21-51-32-26-47(49,50)27-32/h3,10-11,16,18,29-33,37-39,51H,1,4-9,12-15,17,19-28H2,2H3,(H,53,60)(H,54,57)(H,55,59)/t30-,31-,33-,37+,38-,39+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease A156V mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495939 (CHEMBL3120169) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OCCCNC3CC(F)(F)C3)c1CCCCC2 |r| Show InChI InChI=1S/C48H64F2N6O9S/c1-3-31-25-48(31,44(59)55-66(61,62)46(2)19-20-46)54-41(57)37-24-33-28-56(37)43(58)39(29-13-6-4-7-14-29)53-45(60)65-38-23-30(38)15-8-5-9-17-35-40(34-16-10-11-18-36(34)52-42(35)64-33)63-22-12-21-51-32-26-47(49,50)27-32/h3,10-11,16,18,29-33,37-39,51H,1,4-9,12-15,17,19-28H2,2H3,(H,53,60)(H,54,57)(H,55,59)/t30-,31-,33-,37+,38-,39+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease A156T mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair