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Compile Data Set for Download or QSAR

Found 140 hits of ec50 for UniProtKB: P04585   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347150
PNG
(US10202404, Compound A-21)
Show SMILES C[C@@H]1CO[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N2C1
Show InChI InChI=1/C21H18F2N4O4S/c1-10-6-27-16(31-9-10)8-26-7-13(18(28)19(29)17(26)21(27)30)20-25-24-15(32-20)4-11-2-3-12(22)5-14(11)23/h2-3,5,7,10,16,29H,4,6,8-9H2,1H3/t10-,16-/s2
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UniChem
Article
US Patent
n/an/an/an/a 1n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27614
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridazin...)
Show SMILES Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C19H10BrClFN5O/c20-15-2-1-11(7-16-14-3-4-24-26-19(14)27-25-16)17(22)18(15)28-13-6-10(9-23)5-12(21)8-13/h1-6,8H,7H2,(H,25,26,27)
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Article
PubMed
n/an/a 3n/a 1n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...


J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27616
PNG
(3-chloro-5-(6-chloro-2-fluoro-3-{1H-pyrazolo[3,4-c...)
Show SMILES Fc1c(Cc2n[nH]c3nnccc23)ccc(Cl)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C19H10Cl2FN5O/c20-12-5-10(9-23)6-13(8-12)28-18-15(21)2-1-11(17(18)22)7-16-14-3-4-24-26-19(14)27-25-16/h1-6,8H,7H2,(H,25,26,27)
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Article
PubMed
n/an/an/an/a 1n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...


J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27617
PNG
(5-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridazin...)
Show SMILES Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc1cc(cc(c1)C#N)C#N
Show InChI InChI=1S/C20H10BrFN6O/c21-16-2-1-13(8-17-15-3-4-25-27-20(15)28-26-17)18(22)19(16)29-14-6-11(9-23)5-12(7-14)10-24/h1-7H,8H2,(H,26,27,28)
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PubMed
n/an/an/an/a 1n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...


J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27612
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-b]pyridin-3...)
Show SMILES Fc1c(Cc2n[nH]c3ncccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C20H11BrClFN4O/c21-16-4-3-12(8-17-15-2-1-5-25-20(15)27-26-17)18(23)19(16)28-14-7-11(10-24)6-13(22)9-14/h1-7,9H,8H2,(H,25,26,27)
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PubMed
n/an/a 8n/a 1n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...


J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347231
PNG
(US10202404, Compound C-3)
Show SMILES COCCN1CN(C)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C20H19F2N5O4S/c1-25-10-26(5-6-31-2)20(30)16-18(29)17(28)13(9-27(16)25)19-24-23-15(32-19)7-11-3-4-12(21)8-14(11)22/h3-4,8-9,29H,5-7,10H2,1-2H3
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UniChem
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US Patent
n/an/an/an/a 1.10n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347144
PNG
(US10202404, Compound A-15)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C20H16F2N4O4S/c1-9-8-30-15-7-25-6-12(17(27)18(28)16(25)20(29)26(9)15)19-24-23-14(31-19)4-10-2-3-11(21)5-13(10)22/h2-3,5-6,9,15,28H,4,7-8H2,1H3/t9-,15+/s2
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UniChem
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US Patent
n/an/an/an/a 1.10n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347143
PNG
(US10202404, Compound A-14)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4ncc(Cc5c(F)cc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C21H16F3N3O4S/c1-9-8-31-16-7-26-6-13(18(28)19(29)17(26)21(30)27(9)16)20-25-5-11(32-20)4-12-14(23)2-10(22)3-15(12)24/h2-3,5-6,9,16,29H,4,7-8H2,1H3/t9-,16+/s2
PDB
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US Patent
n/an/an/an/a 1.20n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347248
PNG
(US10202404, Compound C-23)
Show SMILES CCN1N(C)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C19H17F2N5O3S/c1-3-26-19(29)15-17(28)16(27)12(8-25(15)9-24(26)2)18-23-22-14(30-18)6-10-4-5-11(20)7-13(10)21/h4-5,7-8,28H,3,6,9H2,1-2H3
PDB
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UniChem
Article
US Patent
n/an/an/an/a 1.20n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347247
PNG
(US10202404, Compound C-22)
Show SMILES COCCN1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C22H23F2N5O4S/c1-12(2)29-22(32)18-20(31)19(30)15(10-27(18)11-28(29)6-7-33-3)21-26-25-17(34-21)8-13-4-5-14(23)9-16(13)24/h4-5,9-10,12,31H,6-8,11H2,1-3H3
PDB
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UniChem
Article
US Patent
n/an/an/an/a 1.30n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347164
PNG
(US10202404, Compound A-36)
Show SMILES C[C@H]1CCO[C@@H]2Cn3cc(-c4nnc(Cc5c(F)cc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C21H17F3N4O4S/c1-9-2-3-32-16-8-27-7-12(18(29)19(30)17(27)21(31)28(9)16)20-26-25-15(33-20)6-11-13(23)4-10(22)5-14(11)24/h4-5,7,9,16,30H,2-3,6,8H2,1H3/t9-,16+/s2
PDB
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UniChem
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US Patent
n/an/an/an/a 1.40n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347230
PNG
(US10202404, Compound C-2)
Show SMILES CCN1CN(CCOC)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C21H21F2N5O4S/c1-3-27-11-26(6-7-32-2)21(31)17-19(30)18(29)14(10-28(17)27)20-25-24-16(33-20)8-12-4-5-13(22)9-15(12)23/h4-5,9-10,30H,3,6-8,11H2,1-2H3
PDB
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UniChem
Article
US Patent
n/an/an/an/a 1.40n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347251
PNG
(US10202404, Compound C-26)
Show SMILES COCCN1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C
Show InChI InChI=1S/C20H19F2N5O4S/c1-25-20(30)16-18(29)17(28)13(9-26(16)10-27(25)5-6-31-2)19-24-23-15(32-19)7-11-3-4-12(21)8-14(11)22/h3-4,8-9,29H,5-7,10H2,1-2H3
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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UniChem
Article
US Patent
n/an/an/an/a 1.5n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347246
PNG
(US10202404, Compound C-21)
Show SMILES CCN1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1CC
Show InChI InChI=1S/C20H19F2N5O3S/c1-3-26-10-25-9-13(17(28)18(29)16(25)20(30)27(26)4-2)19-24-23-15(31-19)7-11-5-6-12(21)8-14(11)22/h5-6,8-9,29H,3-4,7,10H2,1-2H3
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 1.5n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347181
PNG
(US10202404, Compound A-54)
Show SMILES Oc1c2C(=O)N3C[C@H]4CCCN4[C@@H]3Cn2cc(-c2nnc(Cc3cccc(Cl)c3F)s2)c1=O
Show InChI InChI=1/C22H19ClFN5O3S/c23-14-5-1-3-11(17(14)24)7-15-25-26-21(33-15)13-9-27-10-16-28-6-2-4-12(28)8-29(16)22(32)18(27)20(31)19(13)30/h1,3,5,9,12,16,31H,2,4,6-8,10H2/t12-,16+/s2
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n/an/an/an/a 1.60n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347176
PNG
(US10202404, Compound A-49 | US10202404, Compound A...)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4cn(Cc5ccc(F)cc5F)cn4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C22H20F2N4O4/c1-12-4-5-32-18-10-27-8-15(20(29)21(30)19(27)22(31)28(12)18)17-9-26(11-25-17)7-13-2-3-14(23)6-16(13)24/h2-3,6,8-9,11-12,18,30H,4-5,7,10H2,1H3/t12-,18+/s2
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US Patent
n/an/an/an/a 1.60n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347189
PNG
(US10202404, Compound A-62)
Show SMILES C[C@H]1[C@H]2CCCN2[C@@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C23H21F2N5O3S/c1-11-16-3-2-6-29(16)18-10-28-9-14(20(31)21(32)19(28)23(33)30(11)18)22-27-26-17(34-22)7-12-4-5-13(24)8-15(12)25/h4-5,8-9,11,16,18,32H,2-3,6-7,10H2,1H3/t11-,16+,18-/s2
PDB
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US Patent
n/an/an/an/a 1.60n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347167
PNG
(US10202404, Compound A-39)
Show SMILES Oc1c2C(=O)N3[C@@H](Cn2cc(-c2nnc(Cc4ccc(F)cc4F)s2)c1=O)O[C@@H]1CCC[C@H]31
Show InChI InChI=1/C22H18F2N4O4S/c23-11-5-4-10(13(24)7-11)6-16-25-26-21(33-16)12-8-27-9-17-28(14-2-1-3-15(14)32-17)22(31)18(27)20(30)19(12)29/h4-5,7-8,14-15,17,30H,1-3,6,9H2/t14-,15+,17+/s2
PDB
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US Patent
n/an/an/an/a 1.60n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347151
PNG
(US10202404, Compound A-22)
Show SMILES C[C@@H]1CO[C@H]2Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N2C1
Show InChI InChI=1/C21H18ClFN4O4S/c1-10-6-27-15(31-9-10)8-26-7-12(18(28)19(29)17(26)21(27)30)20-25-24-14(32-20)5-11-3-2-4-13(22)16(11)23/h2-4,7,10,15,29H,5-6,8-9H2,1H3/t10-,15-/s2
PDB
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US Patent
n/an/an/an/a 1.70n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347245
PNG
(US10202404, Compound C-20)
Show SMILES COCCN1N(C)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C20H19F2N5O4S/c1-25-10-26-9-13(17(28)18(29)16(26)20(30)27(25)5-6-31-2)19-24-23-15(32-19)7-11-3-4-12(21)8-14(11)22/h3-4,8-9,29H,5-7,10H2,1-2H3
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n/an/an/an/a 1.70n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347182
PNG
(US10202404, Compound A-55)
Show SMILES Oc1c2C(=O)N3C[C@H]4CCCN4[C@@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1/C22H19F2N5O3S/c23-12-4-3-11(15(24)7-12)6-16-25-26-21(33-16)14-9-27-10-17-28-5-1-2-13(28)8-29(17)22(32)18(27)20(31)19(14)30/h3-4,7,9,13,17,31H,1-2,5-6,8,10H2/t13-,17+/s2
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n/an/an/an/a 1.70n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347241
PNG
(US10202404, Compound C-15)
Show SMILES Oc1c2C(=O)N3CCCCN3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C20H17F2N5O3S/c21-12-4-3-11(14(22)8-12)7-15-23-24-19(31-15)13-9-25-10-26-5-1-2-6-27(26)20(30)16(25)18(29)17(13)28/h3-4,8-9,29H,1-2,5-7,10H2
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n/an/an/an/a 1.70n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347184
PNG
(US10202404, Compound A-57)
Show SMILES C[C@H]1N2[C@H](Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C2=O)OCC11CC1
Show InChI InChI=1/C23H20F2N4O4S/c1-11-23(4-5-23)10-33-17-9-28-8-14(19(30)20(31)18(28)22(32)29(11)17)21-27-26-16(34-21)6-12-2-3-13(24)7-15(12)25/h2-3,7-8,11,17,31H,4-6,9-10H2,1H3/t11-,17+/s2
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n/an/an/an/a 1.70n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347102
PNG
(US10202404, Compound A-6)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4ncc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C21H17F2N3O4S/c1-10-9-30-16-8-25-7-14(18(27)19(28)17(25)21(29)26(10)16)20-24-6-13(31-20)4-11-2-3-12(22)5-15(11)23/h2-3,5-7,10,16,28H,4,8-9H2,1H3/t10-,16+/s2
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n/an/an/an/a 1.90n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347190
PNG
(US10202404, Compound A-63)
Show SMILES Oc1c2C(=O)N3[C@H](Cn2cc(-c2nnc(Cc4ccc(F)cc4F)s2)c1=O)O[C@H]1CCC[C@@H]31
Show InChI InChI=1/C22H18F2N4O4S/c23-11-5-4-10(13(24)7-11)6-16-25-26-21(33-16)12-8-27-9-17-28(14-2-1-3-15(14)32-17)22(31)18(27)20(30)19(12)29/h4-5,7-8,14-15,17,30H,1-3,6,9H2/t14-,15+,17+/s2
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n/an/an/an/a 2n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347252
PNG
(US10202404, Compound C-27)
Show SMILES COCCN1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1CCOC
Show InChI InChI=1S/C22H23F2N5O5S/c1-33-7-5-28-12-27-11-15(19(30)20(31)18(27)22(32)29(28)6-8-34-2)21-26-25-17(35-21)9-13-3-4-14(23)10-16(13)24/h3-4,10-11,31H,5-9,12H2,1-2H3
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n/an/an/an/a 2n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM27613
PNG
(3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridin-3...)
Show SMILES Fc1c(Cc2n[nH]c3cnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C20H11BrClFN4O/c21-16-2-1-12(7-17-15-3-4-25-10-18(15)27-26-17)19(23)20(16)28-14-6-11(9-24)5-13(22)8-14/h1-6,8,10H,7H2,(H,26,27)
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Article
PubMed
n/an/a 5n/a 2n/an/a8.030



Roche Palo Alto LLC



Assay Description
IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi...


J Med Chem 51: 7449-58 (2008)


Article DOI: 10.1021/jm800527x
BindingDB Entry DOI: 10.7270/Q2TQ5ZV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347235
PNG
(US10202404, Compound C-7)
Show SMILES CCN1CN(CCCOC)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C22H23F2N5O4S/c1-3-28-12-27(7-4-8-33-2)22(32)18-20(31)19(30)15(11-29(18)28)21-26-25-17(34-21)9-13-5-6-14(23)10-16(13)24/h5-6,10-11,31H,3-4,7-9,12H2,1-2H3
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n/an/an/an/a 2n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347187
PNG
(US10202404, Compound A-60)
Show SMILES C[C@H]1CN(C2CC2)[C@@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C23H21F2N5O3S/c1-11-8-29(14-4-5-14)18-10-28-9-15(20(31)21(32)19(28)23(33)30(11)18)22-27-26-17(34-22)6-12-2-3-13(24)7-16(12)25/h2-3,7,9,11,14,18,32H,4-6,8,10H2,1H3/t11-,18-/s2
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n/an/an/an/a 2n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347216
PNG
(US10202404, Compound B-9)
Show SMILES Oc1c2C(=O)N3C[C@H]4C[C@H]4[C@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1/C21H16F2N4O3S/c22-11-2-1-9(14(23)5-11)4-16-24-25-20(31-16)13-7-26-8-15-12-3-10(12)6-27(15)21(30)17(26)19(29)18(13)28/h1-2,5,7,10,12,15,29H,3-4,6,8H2/t10-,12-,15-/s2
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n/an/an/an/a 2n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347158
PNG
(US10202404, Compound A-29)
Show SMILES C[C@H]1CCO[C@@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C21H18F2N4O4S/c1-10-4-5-31-16-9-26-8-13(18(28)19(29)17(26)21(30)27(10)16)20-25-24-15(32-20)6-11-2-3-12(22)7-14(11)23/h2-3,7-8,10,16,29H,4-6,9H2,1H3/t10-,16+/s2
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n/an/an/an/a 2.10n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347145
PNG
(US10202404, Compound A-16)
Show SMILES C[C@@H]1CCN2[C@H](Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C2=O)O1
Show InChI InChI=1/C21H18F2N4O4S/c1-10-4-5-27-16(31-10)9-26-8-13(18(28)19(29)17(26)21(27)30)20-25-24-15(32-20)6-11-2-3-12(22)7-14(11)23/h2-3,7-8,10,16,29H,4-6,9H2,1H3/t10-,16+/s2
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n/an/an/an/a 2.10n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347232
PNG
(US10202404, Compound C-4)
Show SMILES CCN1CN(CCOC)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2cccc(Cl)c2F)s1
Show InChI InChI=1S/C21H21ClFN5O4S/c1-3-27-11-26(7-8-32-2)21(31)17-19(30)18(29)13(10-28(17)27)20-25-24-15(33-20)9-12-5-4-6-14(22)16(12)23/h4-6,10,30H,3,7-9,11H2,1-2H3
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n/an/an/an/a 2.10n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347250
PNG
(US10202404, Compound C-25)
Show SMILES CCN1NCn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C18H15F2N5O3S/c1-2-25-18(28)14-16(27)15(26)11(7-24(14)8-21-25)17-23-22-13(29-17)5-9-3-4-10(19)6-12(9)20/h3-4,6-7,21,27H,2,5,8H2,1H3
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n/an/an/an/a 2.20n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347240
PNG
(US10202404, Compound C-14)
Show SMILES Oc1c2C(=O)N3CCCCN3Cn2cc(-c2nnc(Cc3cccc(Cl)c3F)s2)c1=O
Show InChI InChI=1S/C20H17ClFN5O3S/c21-13-5-3-4-11(15(13)22)8-14-23-24-19(31-14)12-9-25-10-26-6-1-2-7-27(26)20(30)16(25)18(29)17(12)28/h3-5,9,29H,1-2,6-8,10H2
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n/an/an/an/a 2.20n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347146
PNG
(US10202404, Compound A-17)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C21H18ClFN4O4S/c1-10-5-6-31-15-9-26-8-12(18(28)19(29)17(26)21(30)27(10)15)20-25-24-14(32-20)7-11-3-2-4-13(22)16(11)23/h2-4,8,10,15,29H,5-7,9H2,1H3/t10-,15+/s2
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n/an/an/an/a 2.30n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347165
PNG
(US10202404, Compound A-37)
Show SMILES C[C@H]1CCO[C@@H]2Cn3cc(-c4nnc(Cc5ccc(F)c(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C21H17ClF2N4O4S/c1-9-4-5-32-14-8-27-7-11(18(29)19(30)17(27)21(31)28(9)14)20-26-25-13(33-20)6-10-2-3-12(23)15(22)16(10)24/h2-3,7,9,14,30H,4-6,8H2,1H3/t9-,14+/s2
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n/an/an/an/a 2.30n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347243
PNG
(US10202404, Compound C-18)
Show SMILES CN1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C
Show InChI InChI=1S/C18H15F2N5O3S/c1-23-8-25-7-11(15(26)16(27)14(25)18(28)24(23)2)17-22-21-13(29-17)5-9-3-4-10(19)6-12(9)20/h3-4,6-7,27H,5,8H2,1-2H3
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n/an/an/an/a 2.30n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347147
PNG
(US10202404, Compound A-18)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C20H16ClFN4O4S/c1-9-8-30-14-7-25-6-11(17(27)18(28)16(25)20(29)26(9)14)19-24-23-13(31-19)5-10-3-2-4-12(21)15(10)22/h2-4,6,9,14,28H,5,7-8H2,1H3/t9-,14+/s2
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n/an/an/an/a 2.30n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347159
PNG
(US10202404, Compound A-31)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)c(F)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C21H17F3N4O4S/c1-9-4-5-32-14-8-27-7-11(18(29)19(30)17(27)21(31)28(9)14)20-26-25-13(33-20)6-10-2-3-12(22)16(24)15(10)23/h2-3,7,9,14,30H,4-6,8H2,1H3/t9-,14+/s2
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n/an/an/an/a 2.30n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347249
PNG
(US10202404, Compound C-24)
Show SMILES Oc1c2C(=O)N3CC4(CC4)CN3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C21H17F2N5O3S/c22-12-2-1-11(14(23)6-12)5-15-24-25-19(32-15)13-7-26-10-27-8-21(3-4-21)9-28(27)20(31)16(26)18(30)17(13)29/h1-2,6-7,30H,3-5,8-10H2
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n/an/an/an/a 2.40n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347236
PNG
(US10202404, Compound C-8)
Show SMILES CCN1CN(CCCOC)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2cccc(Cl)c2F)s1
Show InChI InChI=1S/C22H23ClFN5O4S/c1-3-28-12-27(8-5-9-33-2)22(32)18-20(31)19(30)14(11-29(18)28)21-26-25-16(34-21)10-13-6-4-7-15(23)17(13)24/h4,6-7,11,31H,3,5,8-10,12H2,1-2H3
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n/an/an/an/a 2.40n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347097
PNG
(US10202404, Compound A-2)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4ncc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C21H17ClFN3O4S/c1-10-9-30-15-8-25-7-13(18(27)19(28)17(25)21(29)26(10)15)20-24-6-12(31-20)5-11-3-2-4-14(22)16(11)23/h2-4,6-7,10,15,28H,5,8-9H2,1H3/t10-,15+/s2
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n/an/an/an/a 2.5n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347161
PNG
(US10202404, Compound A-33)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)c(Cl)c5)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C21H18ClFN4O4S/c1-10-4-5-31-16-9-26-8-12(18(28)19(29)17(26)21(30)27(10)16)20-25-24-15(32-20)7-11-2-3-14(23)13(22)6-11/h2-3,6,8,10,16,29H,4-5,7,9H2,1H3/t10-,16+/s2
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n/an/an/an/a 2.5n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347152
PNG
(US10202404, Compound A-23)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5c(F)cc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1/C21H17F3N4O4S/c1-9-2-3-32-16-8-27-7-12(18(29)19(30)17(27)21(31)28(9)16)20-26-25-15(33-20)6-11-13(23)4-10(22)5-14(11)24/h4-5,7,9,16,30H,2-3,6,8H2,1H3/t9-,16+/s2
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n/an/an/an/a 2.60n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347166
PNG
(US10202404, Compound A-38)
Show SMILES C[C@@H]1C[C@@H](C)N2[C@H](Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C2=O)O1
Show InChI InChI=1/C22H20F2N4O4S/c1-10-5-11(2)32-17-9-27-8-14(19(29)20(30)18(27)22(31)28(10)17)21-26-25-16(33-21)6-12-3-4-13(23)7-15(12)24/h3-4,7-8,10-11,17,30H,5-6,9H2,1-2H3/t10-,11-,17+/s2
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n/an/an/an/a 2.70n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347239
PNG
(US10202404, Compound C-13)
Show SMILES COCCN1CN(C)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H20F2N4O4S/c1-25-11-26(5-6-31-2)21(30)17-19(29)18(28)15(10-27(17)25)20-24-9-14(32-20)7-12-3-4-13(22)8-16(12)23/h3-4,8-10,29H,5-7,11H2,1-2H3
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n/an/an/an/a 2.70n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347163
PNG
(US10202404, Compound A-35)
Show SMILES C[C@@H]1C[C@@H](C)N2[C@H](Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C2=O)O1
Show InChI InChI=1/C22H20ClFN4O4S/c1-10-6-11(2)32-16-9-27-8-13(19(29)20(30)18(27)22(31)28(10)16)21-26-25-15(33-21)7-12-4-3-5-14(23)17(12)24/h3-5,8,10-11,16,30H,6-7,9H2,1-2H3/t10-,11-,16+/s2
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n/an/an/an/a 2.80n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347214
PNG
(US10202404, Compound B-7)
Show SMILES Oc1c2C(=O)N3CCCC[C@@H]3Cn2cc(-c2nnc(Cc3c(F)cc(F)cc3F)s2)c1=O
Show InChI InChI=1/C21H17F3N4O3S/c22-10-5-14(23)12(15(24)6-10)7-16-25-26-20(32-16)13-9-27-8-11-3-1-2-4-28(11)21(31)17(27)19(30)18(13)29/h5-6,9,11,30H,1-4,7-8H2/t11-/s2
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n/an/an/an/a 2.90n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347208
PNG
(US10202404, Compound B-1)
Show SMILES Oc1c2C(=O)N3CCCC[C@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1/C21H18F2N4O3S/c22-12-5-4-11(15(23)8-12)7-16-24-25-20(31-16)14-10-26-9-13-3-1-2-6-27(13)21(30)17(26)19(29)18(14)28/h4-5,8,10,13,29H,1-3,6-7,9H2/t13-/s2
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n/an/an/an/a 2.90n/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...


US Patent US10202404 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2WQ05WN
More data for this
Ligand-Target Pair
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