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Patent code US9428491

Compile Data Set for Download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244109
PNG
(US9428491, 1.2: 2HCl)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)C#CC#Cc1c[nH]c(n1)[C@H]1CCCN1C(=O)[C@H](NC(=O)OC)c1ccccc1
Show InChI InChI=1S/C41H42N8O6/c1-26(2)34(46-40(52)54-3)38(50)48-22-11-17-33(48)37-43-25-31(45-37)28-20-18-27(19-21-28)12-8-9-15-30-24-42-36(44-30)32-16-10-23-49(32)39(51)35(47-41(53)55-4)29-13-6-5-7-14-29/h5-7,13-14,18-21,24-26,32-35H,10-11,16-17,22-23H2,1-4H3,(H,46,52)(H,47,53)/t32-,33+,34+,35-/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.000790n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244111
PNG
(US9428491, 1.4: 2HCl)
Show SMILES COC(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1c1nc(c[nH]1)C#CC#Cc1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)c1ccccc1
Show InChI InChI=1S/C41H42N8O6/c1-26(2)34(46-40(52)54-3)38(50)48-22-10-16-32(48)36-42-24-30(44-36)15-9-8-12-27-18-20-28(21-19-27)31-25-43-37(45-31)33-17-11-23-49(33)39(51)35(47-41(53)55-4)29-13-6-5-7-14-29/h5-7,13-14,18-21,24-26,32-35H,10-11,16-17,22-23H2,1-4H3,(H,46,52)(H,47,53)/t32-,33+,34-,35+/m1/s1
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.00180n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244105
PNG
(US9428491, 1.10: 2HCl)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)C#CC#Cc1csc2c(csc12)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C38H44N8O6S2/c1-21(2)29(43-37(49)51-5)35(47)45-15-9-13-27(45)33-39-17-24(41-33)12-8-7-11-23-19-53-32-25(20-54-31(23)32)26-18-40-34(42-26)28-14-10-16-46(28)36(48)30(22(3)4)44-38(50)52-6/h17-22,27-30H,9-10,13-16H2,1-6H3,(H,39,41)(H,40,42)(H,43,49)(H,44,50)/t27-,28-,29-,30-/m0/s1
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.00200n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244106
PNG
(US9428491, 1.1 | US9428491, 1.1: 2HCl | US9428491,...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)C#CC#Cc1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C38H44N8O6/c1-23(2)31(43-37(49)51-5)35(47)45-19-9-13-29(45)33-39-21-27(41-33)12-8-7-11-25-15-17-26(18-16-25)28-22-40-34(42-28)30-14-10-20-46(30)36(48)32(24(3)4)44-38(50)52-6/h15-18,21-24,29-32H,9-10,13-14,19-20H2,1-6H3,(H,43,49)(H,44,50)/t29-,30-,31-,32-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00310n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244114
PNG
(US9428491, 1.9: 2HCl)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)C#CC#Cc1ccc(s1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C36H42N8O6S/c1-21(2)29(41-35(47)49-5)33(45)43-17-9-13-26(43)31-37-19-23(39-31)11-7-8-12-24-15-16-28(51-24)25-20-38-32(40-25)27-14-10-18-44(27)34(46)30(22(3)4)42-36(48)50-6/h15-16,19-22,26-27,29-30H,9-10,13-14,17-18H2,1-6H3,(H,41,47)(H,42,48)/b28-25+/t26-,27-,29-,30-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00320n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244106
PNG
(US9428491, 1.1 | US9428491, 1.1: 2HCl | US9428491,...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)C#CC#Cc1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C38H44N8O6/c1-23(2)31(43-37(49)51-5)35(47)45-19-9-13-29(45)33-39-21-27(41-33)12-8-7-11-25-15-17-26(18-16-25)28-22-40-34(42-28)30-14-10-20-46(30)36(48)32(24(3)4)44-38(50)52-6/h15-18,21-24,29-32H,9-10,13-14,19-20H2,1-6H3,(H,43,49)(H,44,50)/t29-,30-,31-,32-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00340n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244104
PNG
(US9428491, 1.7: 2HCl)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)C#CC#Cc1ccc2cc(ccc2c1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C42H46N8O6/c1-25(2)35(47-41(53)55-5)39(51)49-19-9-13-33(49)37-43-23-31(45-37)12-8-7-11-27-15-16-29-22-30(18-17-28(29)21-27)32-24-44-38(46-32)34-14-10-20-50(34)40(52)36(26(3)4)48-42(54)56-6/h15-18,21-26,33-36H,9-10,13-14,19-20H2,1-6H3,(H,47,53)(H,48,54)/b32-30+/t33-,34-,35-,36-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00360n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244106
PNG
(US9428491, 1.1 | US9428491, 1.1: 2HCl | US9428491,...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)C#CC#Cc1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C38H44N8O6/c1-23(2)31(43-37(49)51-5)35(47)45-19-9-13-29(45)33-39-21-27(41-33)12-8-7-11-25-15-17-26(18-16-25)28-22-40-34(42-28)30-14-10-20-46(30)36(48)32(24(3)4)44-38(50)52-6/h15-18,21-24,29-32H,9-10,13-14,19-20H2,1-6H3,(H,43,49)(H,44,50)/t29-,30-,31-,32-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00400n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244108
PNG
(US9428491, 1.6: 2HCl)
Show SMILES COC(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1c1ncc([nH]1)C#CC#Cc1ccc2cc(ccc2c1)-c1cnc([nH]1)[C@H]1CCCN1C(=O)[C@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C42H46N8O6/c1-25(2)35(47-41(53)55-5)39(51)49-19-9-13-33(49)37-43-23-31(45-37)12-8-7-11-27-15-16-29-22-30(18-17-28(29)21-27)32-24-44-38(46-32)34-14-10-20-50(34)40(52)36(26(3)4)48-42(54)56-6/h15-18,21-26,33-36H,9-10,13-14,19-20H2,1-6H3,(H,47,53)(H,48,54)/b32-30-/t33-,34-,35-,36-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00460n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244113
PNG
(US9428491, 1.8: 2HCl)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)C#CC#Cc1ccc(-c2c[nH]c(n2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c2ccccc12
Show InChI InChI=1S/C42H46N8O6/c1-25(2)35(47-41(53)55-5)39(51)49-21-11-17-33(49)37-43-23-28(45-37)14-8-7-13-27-19-20-31(30-16-10-9-15-29(27)30)32-24-44-38(46-32)34-18-12-22-50(34)40(52)36(26(3)4)48-42(54)56-6/h9-10,15-16,19-20,23-26,33-36H,11-12,17-18,21-22H2,1-6H3,(H,47,53)(H,48,54)/b32-31+/t33-,34-,35-,36-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00480n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244110
PNG
(US9428491, 1.3: 2HCl)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)C#CC#Cc1c[nH]c(n1)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC)c1ccccc1
Show InChI InChI=1S/C41H42N8O6/c1-26(2)34(46-40(52)54-3)38(50)48-22-11-17-33(48)37-43-25-31(45-37)28-20-18-27(19-21-28)12-8-9-15-30-24-42-36(44-30)32-16-10-23-49(32)39(51)35(47-41(53)55-4)29-13-6-5-7-14-29/h5-7,13-14,18-21,24-26,32-35H,10-11,16-17,22-23H2,1-4H3,(H,46,52)(H,47,53)/t32-,33+,34+,35+/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00540n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5A (NS5A)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM244112
PNG
(US9428491, 1.5: 2HCl)
Show SMILES COC(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1c1nc(c[nH]1)C#CC#Cc1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC)c1ccccc1
Show InChI InChI=1S/C41H42N8O6/c1-26(2)34(46-40(52)54-3)38(50)48-22-10-16-32(48)36-42-24-30(44-36)15-9-8-12-27-18-20-28(21-19-27)31-25-43-37(45-31)33-17-11-23-49(33)39(51)35(47-41(53)55-4)29-13-6-5-7-14-29/h5-7,13-14,18-21,24-26,32-35H,10-11,16-17,22-23H2,1-4H3,(H,46,52)(H,47,53)/t32-,33+,34-,35-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00820n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven seria...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%