Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50495934'   

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)	BDBM50495934 (CHEMBL3120476) 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(OC3CCN(CC)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C48H66N6O9S/c1-4-32-28-48(32,45(57)52-64(59,60)47(3)22-23-47)51-42(55)38-27-34-29-54(38)44(56)40(30-14-8-6-9-15-30)50-46(58)63-39-26-31(39)16-10-7-11-18-36-41(61-33-20-24-53(5-2)25-21-33)35-17-12-13-19-37(35)49-43(36)62-34/h4,12-13,17,19,30-34,38-40H,1,5-11,14-16,18,20-29H2,2-3H3,(H,50,58)(H,51,55)(H,52,57)/t31-,32-,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	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)	BDBM50495934 (CHEMBL3120476) 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(OC3CCN(CC)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C48H66N6O9S/c1-4-32-28-48(32,45(57)52-64(59,60)47(3)22-23-47)51-42(55)38-27-34-29-54(38)44(56)40(30-14-8-6-9-15-30)50-46(58)63-39-26-31(39)16-10-7-11-18-36-41(61-33-20-24-53(5-2)25-21-33)35-17-12-13-19-37(35)49-43(36)62-34/h4,12-13,17,19,30-34,38-40H,1,5-11,14-16,18,20-29H2,2-3H3,(H,50,58)(H,51,55)(H,52,57)/t31-,32-,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	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)	BDBM50495934 (CHEMBL3120476) 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(OC3CCN(CC)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C48H66N6O9S/c1-4-32-28-48(32,45(57)52-64(59,60)47(3)22-23-47)51-42(55)38-27-34-29-54(38)44(56)40(30-14-8-6-9-15-30)50-46(58)63-39-26-31(39)16-10-7-11-18-36-41(61-33-20-24-53(5-2)25-21-33)35-17-12-13-19-37(35)49-43(36)62-34/h4,12-13,17,19,30-34,38-40H,1,5-11,14-16,18,20-29H2,2-3H3,(H,50,58)(H,51,55)(H,52,57)/t31-,32-,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.660	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)	BDBM50495934 (CHEMBL3120476) 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(OC3CCN(CC)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C48H66N6O9S/c1-4-32-28-48(32,45(57)52-64(59,60)47(3)22-23-47)51-42(55)38-27-34-29-54(38)44(56)40(30-14-8-6-9-15-30)50-46(58)63-39-26-31(39)16-10-7-11-18-36-41(61-33-20-24-53(5-2)25-21-33)35-17-12-13-19-37(35)49-43(36)62-34/h4,12-13,17,19,30-34,38-40H,1,5-11,14-16,18,20-29H2,2-3H3,(H,50,58)(H,51,55)(H,52,57)/t31-,32-,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.910	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