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Patent code US10150740

Compile Data Set for Download or QSAR
Found 15 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
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307515
PNG
(US10150740, Example 11)
Show SMILES COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCC(C)(C)CO
Show InChI InChI=1S/C23H30N2O6/c1-14(2)9-24-10-15-6-21(31-13-23(3,4)12-26)20(30-5)7-16(15)18-8-19(27)17(22(28)29)11-25(18)24/h6-8,11,14,26H,9-10,12-13H2,1-5H3,(H,28,29)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307512
PNG
(US10150740, Example 8)
Show SMILES COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCC1CCOCC1
Show InChI InChI=1S/C24H30N2O6/c1-15(2)11-25-12-17-8-23(32-14-16-4-6-31-7-5-16)22(30-3)9-18(17)20-10-21(27)19(24(28)29)13-26(20)25/h8-10,13,15-16H,4-7,11-12,14H2,1-3H3,(H,28,29)
PDB

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UniChem
US Patent
n/an/a 44n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307518
PNG
(US10150740, Example 14)
Show SMILES COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C28H39N3O7/c1-18(2)15-30-16-19-12-25(37-11-9-7-8-10-29-27(35)38-28(3,4)5)24(36-6)13-20(19)22-14-23(32)21(26(33)34)17-31(22)30/h12-14,17-18H,7-11,15-16H2,1-6H3,(H,29,35)(H,33,34)
PDB

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UniChem
US Patent
n/an/a 47n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307510
PNG
(US10150740, Example 6)
Show SMILES COCCCOc1cc2CN(CC(C)C)n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C22H28N2O6/c1-14(2)11-23-12-15-8-21(30-7-5-6-28-3)20(29-4)9-16(15)18-10-19(25)17(22(26)27)13-24(18)23/h8-10,13-14H,5-7,11-12H2,1-4H3,(H,26,27)
PDB

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US Patent
n/an/a 53n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307517
PNG
(US10150740, Example 13)
Show SMILES COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCC[N+]#[C-]
Show InChI InChI=1S/C22H25N3O5/c1-14(2)11-24-12-15-8-21(30-7-5-6-23-3)20(29-4)9-16(15)18-10-19(26)17(22(27)28)13-25(18)24/h8-10,13-14H,5-7,11-12H2,1-2,4H3,(H,27,28)
PDB

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PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307511
PNG
(US10150740, Example 7)
Show SMILES COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCC(F)(F)F
Show InChI InChI=1S/C20H21F3N2O5/c1-11(2)7-24-8-12-4-18(30-10-20(21,22)23)17(29-3)5-13(12)15-6-16(26)14(19(27)28)9-25(15)24/h4-6,9,11H,7-8,10H2,1-3H3,(H,27,28)
PDB

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UniChem
US Patent
n/an/a 172n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307514
PNG
(US10150740, Example 10)
Show SMILES COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCN1CCOCC1
Show InChI InChI=1S/C24H31N3O6/c1-16(2)13-26-14-17-10-23(33-9-6-25-4-7-32-8-5-25)22(31-3)11-18(17)20-12-21(28)19(24(29)30)15-27(20)26/h10-12,15-16H,4-9,13-14H2,1-3H3,(H,29,30)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 225n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307509
PNG
(US10150740, Example 5)
Show SMILES COc1cc2CN(CC(C)C)n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C19H22N2O5/c1-11(2)8-20-9-12-5-17(25-3)18(26-4)6-13(12)15-7-16(22)14(19(23)24)10-21(15)20/h5-7,10-11H,8-9H2,1-4H3,(H,23,24)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 248n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307519
PNG
(US10150740, Example 15)
Show SMILES COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCN
Show InChI InChI=1S/C23H31N3O5/c1-15(2)12-25-13-16-9-22(31-8-6-4-5-7-24)21(30-3)10-17(16)19-11-20(27)18(23(28)29)14-26(19)25/h9-11,14-15H,4-8,12-13,24H2,1-3H3,(H,28,29)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307513
PNG
(US10150740, Example 9)
Show SMILES COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCS(C)(=O)=O
Show InChI InChI=1S/C22H28N2O7S/c1-14(2)11-23-12-15-8-21(31-6-5-7-32(4,28)29)20(30-3)9-16(15)18-10-19(25)17(22(26)27)13-24(18)23/h8-10,13-14H,5-7,11-12H2,1-4H3,(H,26,27)
PDB

UniProtKB/SwissProt

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DrugBank
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PC sid
UniChem
US Patent
n/an/a 624n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307507
PNG
(US10150740, Example 3)
Show SMILES COc1cc2CN(CC=C)n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C18H18N2O5/c1-4-5-19-9-11-6-16(24-2)17(25-3)7-12(11)14-8-15(21)13(18(22)23)10-20(14)19/h4,6-8,10H,1,5,9H2,2-3H3,(H,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 740n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307506
PNG
(US10150740, Example 2)
Show SMILES COc1cc2CN(C)n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C16H16N2O5/c1-17-7-9-4-14(22-2)15(23-3)5-10(9)12-6-13(19)11(16(20)21)8-18(12)17/h4-6,8H,7H2,1-3H3,(H,20,21)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.53E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307516
PNG
(US10150740, Example 12)
Show SMILES COc1cc-2c(CN(CC(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCC(O)=O
Show InChI InChI=1S/C23H28N2O7/c1-14(2)11-24-12-15-8-21(32-7-5-4-6-22(27)28)20(31-3)9-16(15)18-10-19(26)17(23(29)30)13-25(18)24/h8-10,13-14H,4-7,11-12H2,1-3H3,(H,27,28)(H,29,30)
PDB

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UniChem
US Patent
n/an/a 9.43E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307505
PNG
(US10150740, Example 1)
Show SMILES COc1cc2CNn3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C15H14N2O5/c1-21-13-3-8-6-16-17-7-10(15(19)20)12(18)5-11(17)9(8)4-14(13)22-2/h3-5,7,16H,6H2,1-2H3,(H,19,20)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 1.87E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

More data for this
Ligand-Target Pair
Hepatitis C virus polyprotein


(Hepatitis C virus (HCV))
BDBM307508
PNG
(US10150740, Example 4)
Show SMILES COc1cc2CN(C(C)C)n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C18H20N2O5/c1-10(2)19-8-11-5-16(24-3)17(25-4)6-12(11)14-7-15(21)13(18(22)23)9-20(14)19/h5-7,9-10H,8H2,1-4H3,(H,22,23)
PDB

UniProtKB/SwissProt

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DrugBank
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UniChem
US Patent
n/an/a 2.61E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I ...


US Patent US10150740 (2018)

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