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Patent code US10085988

Compile Data Set for Download or QSAR
Found 5 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
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM287782
PNG
(US10085988, Compound (+)-aglaroxin C)
Show SMILES COc1ccc(cc1)[C@]12Oc3cc(OC)cc(OC)c3[C@@]1(O)c1nc3CCCn3c(=O)c1[C@@H]2c1ccccc1
Show InChI InChI=1S/C31H28N2O6/c1-36-20-13-11-19(12-14-20)31-26(18-8-5-4-6-9-18)25-28(32-24-10-7-15-33(24)29(25)34)30(31,35)27-22(38-3)16-21(37-2)17-23(27)39-31/h4-6,8-9,11-14,16-17,26,35H,7,10,15H2,1-3H3/t26-,30+,31+/m0/s1
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UniChem
n/an/an/an/a 2.00E+4n/an/an/an/a



SRI International; Trustees of Boston University

US Patent


Assay Description
Huh7.5.1 cells from four 150 mm plates were treated with DMSO, Roc-A (20 nM), or infected by HCVcc. 48 h post-transfection, cells were washed three t...


US Patent US10085988 (2018)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM287783
PNG
(US10085988, Compound (-)-aglaroxin C)
Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)c1nc3CCCn3c(=O)c1[C@H]2c1ccccc1
Show InChI InChI=1S/C31H28N2O6/c1-36-20-13-11-19(12-14-20)31-26(18-8-5-4-6-9-18)25-28(32-24-10-7-15-33(24)29(25)34)30(31,35)27-22(38-3)16-21(37-2)17-23(27)39-31/h4-6,8-9,11-14,16-17,26,35H,7,10,15H2,1-3H3/t26-,30+,31+/m1/s1
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 200n/an/an/an/a



SRI International; Trustees of Boston University

US Patent


Assay Description
Huh7.5.1 cells from four 150 mm plates were treated with DMSO, Roc-A (20 nM), or infected by HCVcc. 48 h post-transfection, cells were washed three t...


US Patent US10085988 (2018)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM287781
PNG
(US10085988, Compound (+-) aglaroxin C (C10))
Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)c1nc3CCCn3c(=O)c1[C@H]2c1ccccc1
Show InChI InChI=1S/C31H28N2O6/c1-36-20-13-11-19(12-14-20)31-26(18-8-5-4-6-9-18)25-28(32-24-10-7-15-33(24)29(25)34)30(31,35)27-22(38-3)16-21(37-2)17-23(27)39-31/h4-6,8-9,11-14,16-17,26,35H,7,10,15H2,1-3H3/t26-,30+,31+/m1/s1
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 100n/an/an/an/a



SRI International; Trustees of Boston University

US Patent


Assay Description
Huh7.5.1 cells from four 150 mm plates were treated with DMSO, Roc-A (20 nM), or infected by HCVcc. 48 h post-transfection, cells were washed three t...


US Patent US10085988 (2018)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM287779
PNG
(US10085988, Compound (+) Roc-A)
Show SMILES COc1ccc(cc1)[C@]12Oc3cc(OC)cc(OC)c3[C@@]1(O)[C@@H](O)[C@H]([C@@H]2c1ccccc1)C(=O)N(C)C
Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m0/s1
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a>2.00E+8n/an/an/an/a



SRI International; Trustees of Boston University

US Patent


Assay Description
Huh7.5.1 cells from four 150 mm plates were treated with DMSO, Roc-A (20 nM), or infected by HCVcc. 48 h post-transfection, cells were washed three t...


US Patent US10085988 (2018)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM50196926
PNG
(CHEMBL438139 | Rocaglamide | US10085988, Compound ...)
Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C
Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1
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n/an/an/an/a 4n/an/an/an/a



SRI International; Trustees of Boston University

US Patent


Assay Description
Huh7.5.1 cells from four 150 mm plates were treated with DMSO, Roc-A (20 nM), or infected by HCVcc. 48 h post-transfection, cells were washed three t...


US Patent US10085988 (2018)

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