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Patent code US10202404

Compile Data Set for Download or QSAR
Found 128 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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347223
PNG
(US10202404, Compound B-16)
Show SMILES Oc1c2C(=O)N3CCCC[C@@H]3Cn2cc(-c2ncc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C22H19F2N3O3S/c23-13-5-4-12(17(24)8-13)7-15-9-25-21(31-15)16-11-26-10-14-3-1-2-6-27(14)22(30)18(26)20(29)19(16)28/h4-5,8-9,11,14,29H,1-3,6-7,10H2/t14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.70n/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)

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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347237
PNG
(US10202404, Compound C-10)
Show SMILES CCN1CN(CCOC)C(=O)c2c(O)c(=O)c(cn12)-c1ncc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C22H22F2N4O4S/c1-3-27-12-26(6-7-32-2)22(31)18-20(30)19(29)16(11-28(18)27)21-25-10-15(33-21)8-13-4-5-14(23)9-17(13)24/h4-5,9-11,30H,3,6-8,12H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.80n/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)

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
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
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)

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
MMDB

UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem
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)

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
PDB
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PC cid
PC sid
UniChem
US Patent
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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347254
PNG
(US10202404, Compound D-1)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(OC(C)=O)c3C(=O)N12
Show InChI InChI=1S/C23H20F2N4O5S/c1-11-5-6-33-18-10-28-9-15(20(31)21(34-12(2)30)19(28)23(32)29(11)18)22-27-26-17(35-22)7-13-3-4-14(24)8-16(13)25/h3-4,8-9,11,18H,5-7,10H2,1-2H3/t11-,18+/m1/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.80n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347256
PNG
(US10202404, Compound D-3)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(OCOC(=O)C(C)(C)C)c3C(=O)N12
Show InChI InChI=1S/C27H28F2N4O6S/c1-14-7-8-37-20-12-32-11-17(24-31-30-19(40-24)9-15-5-6-16(28)10-18(15)29)22(34)23(21(32)25(35)33(14)20)38-13-39-26(36)27(2,3)4/h5-6,10-11,14,20H,7-9,12-13H2,1-4H3/t14-,20+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.80n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347257
PNG
(US10202404, Compound D-4)
Show SMILES COCCOC(=O)Oc1c2C(=O)N3[C@H](C)CCO[C@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C25H24F2N4O7S/c1-13-5-6-36-19-12-30-11-16(23-29-28-18(39-23)9-14-3-4-15(26)10-17(14)27)21(32)22(20(30)24(33)31(13)19)38-25(34)37-8-7-35-2/h3-4,10-11,13,19H,5-9,12H2,1-2H3/t13-,19+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.10n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347154
PNG
(US10202404, Compound A-25)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5c(F)ccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C21H17ClF2N4O4S/c1-9-4-5-32-15-8-27-7-11(18(29)19(30)17(27)21(31)28(9)15)20-26-25-14(33-20)6-10-13(23)3-2-12(22)16(10)24/h2-3,7,9,15,30H,4-6,8H2,1H3/t9-,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.40n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347155
PNG
(US10202404, Compound A-26)
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=1S/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+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.80n/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)

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=1S/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+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347180
PNG
(US10202404, Compound A-53)
Show SMILES C[C@H]1CCN(C2CC2)[C@@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(OCc4ccccc4)c3C(=O)N12
Show InChI InChI=1S/C31H29F2N5O3S/c1-18-11-12-37(22-9-10-22)26-16-36-15-23(30-35-34-25(42-30)13-20-7-8-21(32)14-24(20)33)28(39)29(27(36)31(40)38(18)26)41-17-19-5-3-2-4-6-19/h2-8,14-15,18,22,26H,9-13,16-17H2,1H3/t18-,26-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3n/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)

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=1S/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+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347196
PNG
(US10202404, Compound A-69)
Show SMILES COC[C@H]1CCN2[C@@H](Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C2=O)O1
Show InChI InChI=1S/C22H20F2N4O5S/c1-32-10-13-4-5-28-17(33-13)9-27-8-14(19(29)20(30)18(27)22(28)31)21-26-25-16(34-21)6-11-2-3-12(23)7-15(11)24/h2-3,7-8,13,17,30H,4-6,9-10H2,1H3/t13-,17-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.10n/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)

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=1S/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-/m1/s1
PDB
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PC cid
PC sid
UniChem
US Patent
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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347219
PNG
(US10202404, Compound B-12)
Show SMILES Oc1c2C(=O)N3CCCC[C@H]3Cn2cc(-c2ncc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C22H19F2N3O3S/c23-13-5-4-12(17(24)8-13)7-15-9-25-21(31-15)16-11-26-10-14-3-1-2-6-27(14)22(30)18(26)20(29)19(16)28/h4-5,8-9,11,14,29H,1-3,6-7,10H2/t14-/m0/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347220
PNG
(US10202404, Compound B-13)
Show SMILES Oc1c2C(=O)N3CCC[C@H]3Cn2cc(-c2ncc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C21H17F2N3O3S/c22-12-4-3-11(16(23)7-12)6-14-8-24-20(30-14)15-10-25-9-13-2-1-5-26(13)21(29)17(25)19(28)18(15)27/h3-4,7-8,10,13,28H,1-2,5-6,9H2/t13-/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.70n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347225
PNG
(US10202404, Compound B-18)
Show SMILES Oc1c2C(=O)N3CCCC[C@@H]3Cn2cc(-c2ncc(Cc3cccc(Cl)c3F)s2)c1=O
Show InChI InChI=1S/C22H19ClFN3O3S/c23-16-6-3-4-12(17(16)24)8-14-9-25-21(31-14)15-11-26-10-13-5-1-2-7-27(13)22(30)18(26)20(29)19(15)28/h3-4,6,9,11,13,29H,1-2,5,7-8,10H2/t13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347242
PNG
(US10202404, Compound C-16)
Show SMILES Oc1c2C(=O)N3CCOCCN3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C20H17F2N5O4S/c21-12-2-1-11(14(22)8-12)7-15-23-24-19(32-15)13-9-25-10-26-3-5-31-6-4-27(26)20(30)16(25)18(29)17(13)28/h1-2,8-9,29H,3-7,10H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 8.5n/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)

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
PDB
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UniChem
US Patent
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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347099
PNG
(US10202404, Compound A-3)
Show SMILES C[C@@H]1CO[C@H]2Cn3cc(-c4ncc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/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+/m1/s1
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US Patent
n/an/an/an/a 3.70n/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)

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=1S/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+/m0/s1
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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)

More data for this
Ligand-Target Pair
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=1S/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-/m0/s1
PDB
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347170
PNG
(US10202404, Compound A-43)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(s4)C(F)(F)c4cccc(Cl)c4F)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C21H16ClF3N4O4S/c1-9-5-6-33-13-8-28-7-10(16(30)17(31)15(28)19(32)29(9)13)18-26-27-20(34-18)21(24,25)11-3-2-4-12(22)14(11)23/h2-4,7,9,13,31H,5-6,8H2,1H3/t9-,13+/m1/s1
PDB
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US Patent
n/an/an/an/a 3.60n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347171
PNG
(US10202404, Compound A-44)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4cn(Cc5ccc(F)cc5F)cn4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C21H18F2N4O4/c1-11-9-31-17-8-26-6-14(19(28)20(29)18(26)21(30)27(11)17)16-7-25(10-24-16)5-12-2-3-13(22)4-15(12)23/h2-4,6-7,10-11,17,29H,5,8-9H2,1H3/t11-,17+/m0/s1
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n/an/an/an/a 5.10n/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)

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=1S/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+/m1/s1
PDB
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n/an/an/an/a 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)

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=1S/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+/m1/s1
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347199
PNG
(US10202404, Compound A-72)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4cn(Cc5ccc(F)cc5F)nn4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C21H19F2N5O4/c1-11-4-5-32-17-10-26-8-14(19(29)20(30)18(26)21(31)28(11)17)16-9-27(25-24-16)7-12-2-3-13(22)6-15(12)23/h2-3,6,8-9,11,17,30H,4-5,7,10H2,1H3/t11-,17+/m1/s1
PDB
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n/an/an/an/a 8.5n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347212
PNG
(US10202404, Compound B-5)
Show SMILES Oc1c2C(=O)N3CCCC[C@@H]3Cn2cc(-c2nnc(Cc3cccc(Cl)c3F)s2)c1=O
Show InChI InChI=1S/C21H18ClFN4O3S/c22-14-6-3-4-11(16(14)23)8-15-24-25-20(31-15)13-10-26-9-12-5-1-2-7-27(12)21(30)17(26)19(29)18(13)28/h3-4,6,10,12,29H,1-2,5,7-9H2/t12-/m1/s1
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n/an/an/an/a 6.70n/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)

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=1S/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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347221
PNG
(US10202404, Compound B-14)
Show SMILES Oc1c2C(=O)N3CCC[C@H]3Cn2cc(-c2ncc(Cc3cccc(Cl)c3F)s2)c1=O
Show InChI InChI=1S/C21H17ClFN3O3S/c22-15-5-1-3-11(16(15)23)7-13-8-24-20(30-13)14-10-25-9-12-4-2-6-26(12)21(29)17(25)19(28)18(14)27/h1,3,5,8,10,12,28H,2,4,6-7,9H2/t12-/m0/s1
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n/an/an/an/a 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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347226
PNG
(US10202404, Compound B-19)
Show SMILES Oc1c2C(=O)N3CCCC[C@H]3Cn2cc(-c2ncc(Cc3cccc(Cl)c3F)s2)c1=O
Show InChI InChI=1S/C22H19ClFN3O3S/c23-16-6-3-4-12(17(16)24)8-14-9-25-21(31-14)15-11-26-10-13-5-1-2-7-27(13)22(30)18(26)20(29)19(15)28/h3-4,6,9,11,13,29H,1-2,5,7-8,10H2/t13-/m0/s1
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n/an/an/an/a 18n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347234
PNG
(US10202404, Compound C-6)
Show SMILES CCN1CN([C@H](C)C(F)(F)F)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2cccc(Cl)c2F)s1
Show InChI InChI=1S/C21H18ClF4N5O3S/c1-3-29-9-30(10(2)21(24,25)26)20(34)16-18(33)17(32)12(8-31(16)29)19-28-27-14(35-19)7-11-5-4-6-13(22)15(11)23/h4-6,8,10,33H,3,7,9H2,1-2H3/t10-/m1/s1
PDB
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n/an/an/an/a 5.70n/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)

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=1S/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+/m0/s1
PDB
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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)

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=1S/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+/m0/s1
PDB
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US Patent
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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347105
PNG
(US10202404, Compound A-9)
Show SMILES C[C@@H]1CO[C@H]2Cn3cc(-c4ncc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N2C1
Show InChI InChI=1S/C22H19ClFN3O4S/c1-11-7-27-16(31-10-11)9-26-8-14(19(28)20(29)18(26)22(27)30)21-25-6-13(32-21)5-12-3-2-4-15(23)17(12)24/h2-4,6,8,11,16,29H,5,7,9-10H2,1H3/t11-,16-/m0/s1
PDB
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n/an/an/an/a 7.10n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347110
PNG
(US10202404, Compound A-12)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4ncc(Cc5c(F)cc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H18F3N3O4S/c1-10-2-3-32-17-9-27-8-14(19(29)20(30)18(27)22(31)28(10)17)21-26-7-12(33-21)6-13-15(24)4-11(23)5-16(13)25/h4-5,7-8,10,17,30H,2-3,6,9H2,1H3/t10-,17+/m1/s1
PDB
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n/an/an/an/a 4.90n/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)

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=1S/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+/m0/s1
PDB
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347177
PNG
(US10202404, Compound A-50)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4cn(Cc5cccc(Cl)c5F)cn4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H20ClFN4O4/c1-12-5-6-32-17-10-27-8-14(20(29)21(30)19(27)22(31)28(12)17)16-9-26(11-25-16)7-13-3-2-4-15(23)18(13)24/h2-4,8-9,11-12,17,30H,5-7,10H2,1H3/t12-,17+/m1/s1
PDB
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n/an/an/an/a 12n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347178
PNG
(US10202404, Compound A-51)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Oc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C20H16F2N4O5S/c1-9-4-5-30-14-8-25-7-11(16(27)17(28)15(25)19(29)26(9)14)18-23-24-20(32-18)31-13-3-2-10(21)6-12(13)22/h2-3,6-7,9,14,28H,4-5,8H2,1H3/t9-,14+/m1/s1
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US Patent
n/an/an/an/a 6.80n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347183
PNG
(US10202404, Compound A-56)
Show SMILES C[C@H]1CCN(C2CC2)[C@@H]2Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C24H23ClFN5O3S/c1-12-7-8-30(14-5-6-14)18-11-29-10-15(21(32)22(33)20(29)24(34)31(12)18)23-28-27-17(35-23)9-13-3-2-4-16(25)19(13)26/h2-4,10,12,14,18,33H,5-9,11H2,1H3/t12-,18-/m0/s1
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n/an/an/an/a 4n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347186
PNG
(US10202404, Compound A-59)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4cn(Cc5ccc(F)cc5F)c(C)n4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C23H22F2N4O4/c1-12-5-6-33-19-11-28-9-16(21(30)22(31)20(28)23(32)29(12)19)18-10-27(13(2)26-18)8-14-3-4-15(24)7-17(14)25/h3-4,7,9-10,12,19,31H,5-6,8,11H2,1-2H3/t12-,19+/m1/s1
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n/an/an/an/a 9.5n/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)

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=1S/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-/m0/s1
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347200
PNG
(US10202404, Compound A-73)
Show SMILES Oc1c2C(=O)N3[C@@H](Cn2cc(-c2nnc(Cc4ccc(F)cc4F)s2)c1=O)O[C@@H]1COC[C@H]31
Show InChI InChI=1S/C21H16F2N4O5S/c22-10-2-1-9(12(23)4-10)3-15-24-25-20(33-15)11-5-26-6-16-27(13-7-31-8-14(13)32-16)21(30)17(26)19(29)18(11)28/h1-2,4-5,13-14,16,29H,3,6-8H2/t13-,14+,16+/m0/s1
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n/an/an/an/a 5.70n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347202
PNG
(US10202404, Compound A-75)
Show SMILES COCc1cc(F)cc(F)c1Cc1nnc(s1)-c1cn2C[C@@H]3OCC[C@@H](C)N3C(=O)c2c(O)c1=O
Show InChI InChI=1S/C23H22F2N4O5S/c1-11-3-4-34-18-9-28-8-15(20(30)21(31)19(28)23(32)29(11)18)22-27-26-17(35-22)7-14-12(10-33-2)5-13(24)6-16(14)25/h5-6,8,11,18,31H,3-4,7,9-10H2,1-2H3/t11-,18+/m1/s1
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n/an/an/an/a 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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347205
PNG
(US10202404, Compound A-78)
Show SMILES C[C@H]1N2[C@H](Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C2=O)OCC1(F)F
Show InChI InChI=1S/C21H16F4N4O4S/c1-9-21(24,25)8-33-15-7-28-6-12(17(30)18(31)16(28)20(32)29(9)15)19-27-26-14(34-19)4-10-2-3-11(22)5-13(10)23/h2-3,5-6,9,15,31H,4,7-8H2,1H3/t9-,15+/m1/s1
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n/an/an/an/a 4.60n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347206
PNG
(US10202404, Compound A-79)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4cc(Cc5ccc(F)cc5F)n(C)n4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C23H22F2N4O4/c1-12-5-6-33-19-11-28-10-16(21(30)22(31)20(28)23(32)29(12)19)18-9-15(27(2)26-18)7-13-3-4-14(24)8-17(13)25/h3-4,8-10,12,19,31H,5-7,11H2,1-2H3/t12-,19+/m1/s1
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n/an/an/an/a 15n/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)

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)

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
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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)

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
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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)

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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347103
PNG
(US10202404, Compound A-7)
Show SMILES C[C@@H]1CO[C@H]2Cn3cc(-c4ncc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/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+/m1/s1
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n/an/an/an/a 6.5n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347104
PNG
(US10202404, Compound A-8)
Show SMILES C[C@@H]1CO[C@H]2Cn3cc(-c4ncc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N2C1
Show InChI InChI=1S/C22H19F2N3O4S/c1-11-7-27-17(31-10-11)9-26-8-15(19(28)20(29)18(26)22(27)30)21-25-6-14(32-21)4-12-2-3-13(23)5-16(12)24/h2-3,5-6,8,11,17,29H,4,7,9-10H2,1H3/t11-,17-/m0/s1
PDB
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n/an/an/an/a 3.5n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347107
PNG
(US10202404, Compound A-11)
Show SMILES C[C@H]1CCO[C@@H]2Cn3cc(-c4ncc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H19ClFN3O4S/c1-11-5-6-31-16-10-26-9-14(19(28)20(29)18(26)22(30)27(11)16)21-25-8-13(32-21)7-12-3-2-4-15(23)17(12)24/h2-4,8-9,11,16,29H,5-7,10H2,1H3/t11-,16+/m0/s1
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n/an/an/an/a 8.80n/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)

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=1S/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+/m0/s1
PDB
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347149
PNG
(US10202404, Compound A-20)
Show SMILES C[C@@H]1CO[C@H]2Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/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+/m1/s1
PDB
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n/an/an/an/a 3n/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)

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=1S/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-/m0/s1
PDB
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347156
PNG
(US10202404, Compound A-27)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5c(Cl)ccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C21H17Cl2FN4O4S/c1-9-4-5-32-15-8-27-7-11(18(29)19(30)17(27)21(31)28(9)15)20-26-25-14(33-20)6-10-12(22)2-3-13(23)16(10)24/h2-3,7,9,15,30H,4-6,8H2,1H3/t9-,15+/m1/s1
PDB
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n/an/an/an/a 3.5n/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)

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=1S/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+/m1/s1
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347162
PNG
(US10202404, Compound A-34)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5cc(cc(Cl)c5F)C(F)(F)F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H17ClF4N4O4S/c1-9-2-3-35-15-8-30-7-12(18(32)19(33)17(30)21(34)31(9)15)20-29-28-14(36-20)5-10-4-11(22(25,26)27)6-13(23)16(10)24/h4,6-7,9,15,33H,2-3,5,8H2,1H3/t9-,15+/m1/s1
PDB
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US Patent
n/an/an/an/a 13n/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)

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=1S/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+/m1/s1
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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)

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=1S/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+/m0/s1
PDB
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347173
PNG
(US10202404, Compound A-46)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4nc(C)c(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H19ClFN3O4S/c1-10-9-31-16-8-26-7-13(19(28)20(29)18(26)22(30)27(10)16)21-25-11(2)15(32-21)6-12-4-3-5-14(23)17(12)24/h3-5,7,10,16,29H,6,8-9H2,1-2H3/t10-,16+/m0/s1
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n/an/an/an/a 3.90n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347174
PNG
(US10202404, Compound A-47)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4nc(C)c(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H19F2N3O4S/c1-10-9-31-17-8-26-7-14(19(28)20(29)18(26)22(30)27(10)17)21-25-11(2)16(32-21)5-12-3-4-13(23)6-15(12)24/h3-4,6-7,10,17,29H,5,8-9H2,1-2H3/t10-,17+/m0/s1
PDB
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n/an/an/an/a 3.40n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347201
PNG
(US10202404, Compound A-74)
Show SMILES Oc1c2C(=O)N3[C@H](Cn2cc(-c2nnc(Cc4ccc(F)cc4F)s2)c1=O)O[C@H]1COC[C@@H]31
Show InChI InChI=1S/C21H16F2N4O5S/c22-10-2-1-9(12(23)4-10)3-15-24-25-20(33-15)11-5-26-6-16-27(13-7-31-8-14(13)32-16)21(30)17(26)19(29)18(11)28/h1-2,4-5,13-14,16,29H,3,6-8H2/t13-,14+,16+/m1/s1
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n/an/an/an/a 12n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347204
PNG
(US10202404, Compound A-77)
Show SMILES C[C@@H]1N2[C@@H](Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C2=O)OCC1(F)F
Show InChI InChI=1S/C21H16F4N4O4S/c1-9-21(24,25)8-33-15-7-28-6-12(17(30)18(31)16(28)20(32)29(9)15)19-27-26-14(34-19)4-10-2-3-11(22)5-13(10)23/h2-3,5-6,9,15,31H,4,7-8H2,1H3/t9-,15+/m0/s1
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n/an/an/an/a 7.20n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347207
PNG
(US10202404, Compound A-80)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nc(C)c(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C23H21ClFN3O4S/c1-11-6-7-32-17-10-27-9-14(20(29)21(30)19(27)23(31)28(11)17)22-26-12(2)16(33-22)8-13-4-3-5-15(24)18(13)25/h3-5,9,11,17,30H,6-8,10H2,1-2H3/t11-,17+/m1/s1
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n/an/an/an/a 6.30n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347209
PNG
(US10202404, Compound B-2)
Show SMILES Oc1c2C(=O)N3CCCC[C@@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/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-/m1/s1
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n/an/an/an/a 3.90n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347210
PNG
(US10202404, Compound B-3)
Show SMILES Oc1c2C(=O)N3CCC[C@@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C20H16F2N4O3S/c21-11-4-3-10(14(22)7-11)6-15-23-24-19(30-15)13-9-25-8-12-2-1-5-26(12)20(29)16(25)18(28)17(13)27/h3-4,7,9,12,28H,1-2,5-6,8H2/t12-/m1/s1
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n/an/an/an/a 3.70n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347217
PNG
(US10202404, Compound B-10)
Show SMILES Oc1c2C(=O)N3CCOC[C@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C20H16F2N4O4S/c21-11-2-1-10(14(22)6-11)5-15-23-24-19(31-15)13-8-25-7-12-9-30-4-3-26(12)20(29)16(25)18(28)17(13)27/h1-2,6,8,12,28H,3-5,7,9H2/t12-/m1/s1
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n/an/an/an/a 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)

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
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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)

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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347244
PNG
(US10202404, Compound C-19)
Show SMILES Oc1c2C(=O)N3CCCN3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C19H15F2N5O3S/c20-11-3-2-10(13(21)7-11)6-14-22-23-18(30-14)12-8-24-9-25-4-1-5-26(25)19(29)15(24)17(28)16(12)27/h2-3,7-8,28H,1,4-6,9H2
PDB
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n/an/an/an/a 4.20n/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)

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=1S/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+/m1/s1
PDB
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347160
PNG
(US10202404, Compound A-32)
Show SMILES COc1c(F)ccc(Cc2nnc(s2)-c2cn3C[C@@H]4OCC[C@@H](C)N4C(=O)c3c(O)c2=O)c1F
Show InChI InChI=1S/C22H20F2N4O5S/c1-10-5-6-33-15-9-27-8-12(18(29)19(30)17(27)22(31)28(10)15)21-26-25-14(34-21)7-11-3-4-13(23)20(32-2)16(11)24/h3-4,8,10,15,30H,5-7,9H2,1-2H3/t10-,15+/m1/s1
PDB
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n/an/an/an/a 12n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347169
PNG
(US10202404, Compound A-42)
Show SMILES C[C@H]1CO[C@@H]2Cn3cc(-c4cnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C21H17F2N3O4S/c1-10-9-30-17-8-25-7-13(19(27)20(28)18(25)21(29)26(10)17)15-6-24-16(31-15)4-11-2-3-12(22)5-14(11)23/h2-3,5-7,10,17,28H,4,8-9H2,1H3/t10-,17+/m0/s1
PDB
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n/an/an/an/a 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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347179
PNG
(US10202404, Compound A-52)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)[nH]4)c(=O)c(O)c3C(=O)N12
PDB
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n/an/an/an/a 18n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347194
PNG
(US10202404, Compound A-67)
Show SMILES COC[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H20F2N4O5S/c1-32-10-13-4-5-33-17-9-27-8-14(19(29)20(30)18(27)22(31)28(13)17)21-26-25-16(34-21)6-11-2-3-12(23)7-15(11)24/h2-3,7-8,13,17,30H,4-6,9-10H2,1H3/t13-,17-/m0/s1
PDB
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n/an/an/an/a 4.20n/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)

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=1S/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-/m0/s1
PDB
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347222
PNG
(US10202404, Compound B-15)
Show SMILES Oc1c2C(=O)N3CCC[C@@H]3Cn2cc(-c2ncc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C21H17F2N3O3S/c22-12-4-3-11(16(23)7-12)6-14-8-24-20(30-14)15-10-25-9-13-2-1-5-26(13)21(29)17(25)19(28)18(15)27/h3-4,7-8,10,13,28H,1-2,5-6,9H2/t13-/m1/s1
PDB
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n/an/an/an/a 4n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347227
PNG
(US10202404, Compound B-21)
Show SMILES Oc1c2C(=O)N3CC[C@H](F)C[C@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C21H17F3N4O3S/c22-11-2-1-10(15(24)7-11)5-16-25-26-20(32-16)14-9-27-8-13-6-12(23)3-4-28(13)21(31)17(27)19(30)18(14)29/h1-2,7,9,12-13,30H,3-6,8H2/t12-,13-/m0/s1
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n/an/an/an/a 4n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347233
PNG
(US10202404, Compound C-5)
Show SMILES CCN1CN([C@H](C)C(F)(F)F)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C21H18F5N5O3S/c1-3-29-9-30(10(2)21(24,25)26)20(34)16-18(33)17(32)13(8-31(16)29)19-28-27-15(35-19)6-11-4-5-12(22)7-14(11)23/h4-5,7-8,10,33H,3,6,9H2,1-2H3/t10-/m1/s1
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n/an/an/an/a 3.40n/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)

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)

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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347100
PNG
(US10202404, Compound A-4)
Show SMILES C[C@@H]1CCC2[C@H](Cn3cc(-c4ncc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C2=O)O1
Show InChI InChI=1S/C23H20F2N2O4S/c1-11-2-5-15-18(31-11)10-27-9-16(21(29)22(30)19(27)20(15)28)23-26-8-14(32-23)6-12-3-4-13(24)7-17(12)25/h3-4,7-9,11,15,18,30H,2,5-6,10H2,1H3/t11-,15?,18+/m1/s1
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n/an/an/an/a 7.40n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347106
PNG
(US10202404, Compound A-10)
Show SMILES C[C@H]1CCO[C@@H]2Cn3cc(-c4ncc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H19F2N3O4S/c1-11-4-5-31-17-10-26-9-15(19(28)20(29)18(26)22(30)27(11)17)21-25-8-14(32-21)6-12-2-3-13(23)7-16(12)24/h2-3,7-9,11,17,29H,4-6,10H2,1H3/t11-,17+/m0/s1
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n/an/an/an/a 4.40n/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)

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=1S/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+/m0/s1
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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)

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=1S/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+/m1/s1
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347153
PNG
(US10202404, Compound A-24)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nnc(Cc5cc(F)c(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C21H17F3N4O4S/c1-9-2-3-32-16-8-27-7-11(18(29)19(30)17(27)21(31)28(9)16)20-26-25-15(33-20)5-10-4-13(23)14(24)6-12(10)22/h4,6-7,9,16,30H,2-3,5,8H2,1H3/t9-,16+/m1/s1
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n/an/an/an/a 4.20n/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)

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=1S/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+/m1/s1
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347218
PNG
(US10202404, Compound B-11)
Show SMILES Oc1c2C(=O)N3CCOC[C@@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C20H16F2N4O4S/c21-11-2-1-10(14(22)6-11)5-15-23-24-19(31-15)13-8-25-7-12-9-30-4-3-26(12)20(29)16(25)18(28)17(13)27/h1-2,6,8,12,28H,3-5,7,9H2/t12-/m0/s1
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n/an/an/an/a 5.90n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347224
PNG
(US10202404, Compound B-17)
Show SMILES Oc1c2C(=O)N3CCC[C@@H]3Cn2cc(-c2ncc(Cc3cccc(Cl)c3F)s2)c1=O
Show InChI InChI=1S/C21H17ClFN3O3S/c22-15-5-1-3-11(16(15)23)7-13-8-24-20(30-13)14-10-25-9-12-4-2-6-26(12)21(29)17(25)19(28)18(14)27/h1,3,5,8,10,12,28H,2,4,6-7,9H2/t12-/m1/s1
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n/an/an/an/a 5.30n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347228
PNG
(US10202404, Compound B-22)
Show SMILES Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C22H18F2N4O3S/c23-12-3-1-10(15(24)7-12)6-17-25-26-21(32-17)14-8-27-9-16-11-2-4-13(5-11)28(16)22(31)18(27)20(30)19(14)29/h1,3,7-8,11,13,16,30H,2,4-6,9H2/t11-,13+,16+/m0/s1
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n/an/an/an/a 3.5n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347229
PNG
(US10202404, Compound C-1)
Show SMILES COCCN1CN(CC(C)C)n2cc(C(=O)NNC(=S)Cc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H27F2N5O5S/c1-13(2)10-29-12-28(6-7-35-3)23(34)19-21(32)20(31)16(11-30(19)29)22(33)27-26-18(36)8-14-4-5-15(24)9-17(14)25/h4-5,9,11,13,32H,6-8,10,12H2,1-3H3,(H,26,36)(H,27,33)
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n/an/an/an/a 3.40n/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)

More data for this
Ligand-Target Pair
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
PDB
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347238
PNG
(US10202404, Compound C-12)
Show SMILES CCN1CN(CCOC)C(=O)c2c(O)c(=O)c(cn12)-c1ncc(Cc2cccc(Cl)c2F)s1
Show InChI InChI=1S/C22H22ClFN4O4S/c1-3-27-12-26(7-8-32-2)22(31)18-20(30)19(29)15(11-28(18)27)21-25-10-14(33-21)9-13-5-4-6-16(23)17(13)24/h4-6,10-11,30H,3,7-9,12H2,1-2H3
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n/an/an/an/a 8.70n/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)

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)

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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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347111
PNG
(US10202404, Compound A-13)
Show SMILES C[C@@H]1CCO[C@@H]2Cn3cc(-c4ncc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H19F2N3O4S/c1-11-4-5-31-17-10-26-9-15(19(28)20(29)18(26)22(30)27(11)17)21-25-8-14(32-21)6-12-2-3-13(23)7-16(12)24/h2-3,7-9,11,17,29H,4-6,10H2,1H3/t11-,17-/m1/s1
PDB
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n/an/an/an/a 6n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347157
PNG
(US10202404, Compound A-28)
Show SMILES C[C@H]1CCO[C@@H]2Cn3cc(-c4nnc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/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+/m0/s1
PDB
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n/an/an/an/a 3.30n/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)

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=1S/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+/m1/s1
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347168
PNG
(US10202404, Compound A-40)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4cnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H19F2N3O4S/c1-11-4-5-31-18-10-26-9-14(20(28)21(29)19(26)22(30)27(11)18)16-8-25-17(32-16)6-12-2-3-13(23)7-15(12)24/h2-3,7-9,11,18,29H,4-6,10H2,1H3/t11-,18+/m1/s1
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n/an/an/an/a 11n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347172
PNG
(US10202404, Compound A-45)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nc(C)c(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C23H21F2N3O4S/c1-11-5-6-32-18-10-27-9-15(20(29)21(30)19(27)23(31)28(11)18)22-26-12(2)17(33-22)7-13-3-4-14(24)8-16(13)25/h3-4,8-9,11,18,30H,5-7,10H2,1-2H3/t11-,18+/m1/s1
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n/an/an/an/a 4.10n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347185
PNG
(US10202404, Compound A-58)
Show SMILES Oc1c2C(=O)N3CC4(COC4)COC3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C22H18F2N4O5S/c23-12-2-1-11(14(24)4-12)3-15-25-26-20(34-15)13-5-27-6-16-28(7-22(10-33-16)8-32-9-22)21(31)17(27)19(30)18(13)29/h1-2,4-5,16,30H,3,6-10H2
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n/an/an/an/a 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)

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=1S/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-/m0/s1
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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)

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=1S/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+/m1/s1
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347192
PNG
(US10202404, Compound A-65)
Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C22H18F2N4O4S/c23-11-2-1-10(15(24)6-11)5-16-25-26-21(33-16)14-8-27-9-17-28(12-3-4-13(7-12)32-17)22(31)18(27)20(30)19(14)29/h1-2,6,8,12-13,17,30H,3-5,7,9H2/t12-,13+,17+/m0/s1
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n/an/an/an/a 4.20n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347195
PNG
(US10202404, Compound A-68)
Show SMILES COC[C@@H]1CCN2[C@H](Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C2=O)O1
Show InChI InChI=1S/C22H20F2N4O5S/c1-32-10-13-4-5-28-17(33-13)9-27-8-14(19(29)20(30)18(27)22(28)31)21-26-25-16(34-21)6-11-2-3-12(23)7-15(11)24/h2-3,7-8,13,17,30H,4-6,9-10H2,1H3/t13-,17-/m0/s1
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n/an/an/an/a 4.60n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347197
PNG
(US10202404, Compound A-70)
Show SMILES Oc1c2C(=O)N3[C@@H](Cn2cc(-c2nnc(Cc4ccc(F)cc4F)s2)c1=O)OCC[C@H]3C(F)(F)F
Show InChI InChI=1S/C21H15F5N4O4S/c22-10-2-1-9(12(23)6-10)5-14-27-28-19(35-14)11-7-29-8-15-30(13(3-4-34-15)21(24,25)26)20(33)16(29)18(32)17(11)31/h1-2,6-7,13,15,32H,3-5,8H2/t13-,15+/m0/s1
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n/an/an/an/a 8n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347203
PNG
(US10202404, Compound A-76)
Show SMILES C[C@@H]1CCS[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C21H18F2N4O3S2/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+/m1/s1
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n/an/an/an/a 4.70n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347213
PNG
(US10202404, Compound B-6)
Show SMILES Oc1c2C(=O)N3CCCC[C@H]3Cn2cc(-c2nnc(Cc3cccc(Cl)c3F)s2)c1=O
Show InChI InChI=1S/C21H18ClFN4O3S/c22-14-6-3-4-11(16(14)23)8-15-24-25-20(31-15)13-10-26-9-12-5-1-2-7-27(12)21(30)17(26)19(29)18(13)28/h3-4,6,10,12,29H,1-2,5,7-9H2/t12-/m0/s1
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n/an/an/an/a 7.5n/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)

More data for this
Ligand-Target Pair
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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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347253
PNG
(US10202404, Compound C-28)
Show SMILES CC1CCN2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C20H17F2N5O3S/c1-10-4-5-26-9-25-8-13(17(28)18(29)16(25)20(30)27(10)26)19-24-23-15(31-19)6-11-2-3-12(21)7-14(11)22/h2-3,7-8,10,29H,4-6,9H2,1H3
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n/an/an/an/a 4.80n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347255
PNG
(US10202404, Compound D-2)
Show SMILES COC(=O)OCOc1c2C(=O)N3[C@H](C)CCO[C@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C24H22F2N4O7S/c1-12-5-6-35-18-10-29-9-15(22-28-27-17(38-22)7-13-3-4-14(25)8-16(13)26)20(31)21(19(29)23(32)30(12)18)36-11-37-24(33)34-2/h3-4,8-9,12,18H,5-7,10-11H2,1-2H3/t12-,18+/m1/s1
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n/an/an/an/a 8n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347096
PNG
(US10202404, Compound A-1)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4ncc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H19ClFN3O4S/c1-11-5-6-31-16-10-26-9-14(19(28)20(29)18(26)22(30)27(11)16)21-25-8-13(32-21)7-12-3-2-4-15(23)17(12)24/h2-4,8-9,11,16,29H,5-7,10H2,1H3/t11-,16+/m1/s1
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n/an/an/an/a 7.80n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347101
PNG
(US10202404, Compound A-5)
Show SMILES C[C@@H]1CCN2[C@H](Cn3cc(-c4ncc(Cc5cccc(Cl)c5F)s4)c(=O)c(O)c3C2=O)O1
Show InChI InChI=1S/C22H19ClFN3O4S/c1-11-5-6-27-16(31-11)10-26-9-14(19(28)20(29)18(26)22(27)30)21-25-8-13(32-21)7-12-3-2-4-15(23)17(12)24/h2-4,8-9,11,16,29H,5-7,10H2,1H3/t11-,16+/m1/s1
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n/an/an/an/a 8n/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)

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=1S/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+/m1/s1
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347148
PNG
(US10202404, Compound A-19)
Show SMILES C[C@@H]1CO[C@H]2Cn3cc(-c4nnc(Cc5ccc(F)cc5F)s4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/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+/m1/s1
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n/an/an/an/a 3.10n/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)

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=1S/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+/m0/s1
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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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347175
PNG
(US10202404, Compound A-48)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4nc(c(Cc5ccc(F)cc5F)s4)C(F)(F)F)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C23H18F5N3O4S/c1-10-4-5-35-16-9-30-8-13(18(32)19(33)17(30)22(34)31(10)16)21-29-20(23(26,27)28)15(36-21)6-11-2-3-12(24)7-14(11)25/h2-3,7-8,10,16,33H,4-6,9H2,1H3/t10-,16+/m1/s1
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n/an/an/an/a 14n/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)

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=1S/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+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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)

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=1S/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+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347188
PNG
(US10202404, Compound A-61)
Show SMILES COCCN1CC[C@H](C)N2[C@H]1Cn1cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c1C2=O
Show InChI InChI=1S/C24H25F2N5O4S/c1-13-5-6-29(7-8-35-2)19-12-30-11-16(21(32)22(33)20(30)24(34)31(13)19)23-28-27-18(36-23)9-14-3-4-15(25)10-17(14)26/h3-4,10-11,13,19,33H,5-9,12H2,1-2H3/t13-,19-/m0/s1
PDB
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UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.10n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347193
PNG
(US10202404, Compound A-66)
Show SMILES Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@H]3Cn2cc(-c2nnc(Cc3ccc(F)cc3F)s2)c1=O
Show InChI InChI=1S/C22H18F2N4O4S/c23-11-2-1-10(15(24)6-11)5-16-25-26-21(33-16)14-8-27-9-17-28(12-3-4-13(7-12)32-17)22(31)18(27)20(30)19(14)29/h1-2,6,8,12-13,17,30H,3-5,7,9H2/t12-,13+,17+/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.20n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347198
PNG
(US10202404, Compound A-71)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(-c4cc(Cc5ccc(F)cc5F)sn4)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H19F2N3O4S/c1-11-4-5-31-18-10-26-9-15(20(28)21(29)19(26)22(30)27(11)18)17-8-14(32-25-17)6-12-2-3-13(23)7-16(12)24/h2-3,7-9,11,18,29H,4-6,10H2,1H3/t11-,18+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 9.30n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347211
PNG
(US10202404, Compound B-4)
Show SMILES Oc1c2C(=O)N3CCC[C@@H]3Cn2cc(-c2nnc(Cc3cccc(Cl)c3F)s2)c1=O
Show InChI InChI=1S/C20H16ClFN4O3S/c21-13-5-1-3-10(15(13)22)7-14-23-24-19(30-14)12-9-25-8-11-4-2-6-26(11)20(29)16(25)18(28)17(12)27/h1,3,5,9,11,28H,2,4,6-8H2/t11-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.5n/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)

More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM347215
PNG
(US10202404, Compound B-8)
Show SMILES Oc1c2C(=O)N3CCCC[C@H]3Cn2cc(-c2nnc(Cc3c(F)cc(F)cc3F)s2)c1=O
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.80n/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)

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