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Compile Data Set for Download or QSAR

Found 1028 hits Enz. Inhib. hit(s) with Target = 'Envelope polyprotein GP160'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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Patents


Similars

US Patent
n/an/an/an/a 3n/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The in vitro antiviral activity profile for CMX157 was evaluated for cell-type effects and HIV strain effects. It is active against all major subtype...


US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461154
PNG
(US10774053, Compound 354)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc2nc(ccc2c1)C(F)F
Show InChI InChI=1S/C34H32ClF7N8O3/c1-31(2,3)15-33(19-6-9-21-17(12-19)5-8-22(46-21)25(36)37)28(51)49(29(43)47-33)24(14-53-30(52)48-32(10-11-32)34(40,41)42)18-4-7-20(35)23(13-18)50-27(26(38)39)44-16-45-50/h4-9,12-13,16,24-26H,10-11,14-15H2,1-3H3,(H2,43,47)(H,48,52)/t24-,33-/m1/s1
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n/an/an/an/a 5.06n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461193
PNG
(US10774053, Compound 240)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N2CC(F)(F)C2)c2ccc(Cl)c(c2)-n2cncn2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C32H32ClF4N9O3/c1-30(2,3)14-32(22-7-4-19(5-8-22)21-11-40-44(12-21)27(34)35)26(47)46(28(38)42-32)25(13-49-29(48)43-15-31(36,37)16-43)20-6-9-23(33)24(10-20)45-18-39-17-41-45/h4-12,17-18,25,27H,13-16H2,1-3H3,(H2,38,42)/t25-,32-/m1/s1
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n/an/an/an/a 5.06n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461097
PNG
(US10774053, Compound 334 | US10774053, Compound 33...)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N[C@@H]2CC2(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C33H32ClF6N9O3/c1-31(2,3)15-32(20-7-4-17(5-8-20)19-12-43-47(13-19)28(37)38)27(50)48(29(41)46-32)23(14-52-30(51)45-24-11-33(24,39)40)18-6-9-21(34)22(10-18)49-26(25(35)36)42-16-44-49/h4-10,12-13,16,23-25,28H,11,14-15H2,1-3H3,(H2,41,46)(H,45,51)/t23-,24-,32-/m1/s1
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n/an/an/an/a 5.59n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461108
PNG
(US10774053, Compound 288)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N[C@H]2C[C@H]2F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C33H33ClF5N9O3/c1-32(2,3)15-33(20-7-4-17(5-8-20)19-12-42-46(13-19)29(38)39)28(49)47(30(40)45-33)25(14-51-31(50)44-23-11-22(23)35)18-6-9-21(34)24(10-18)48-27(26(36)37)41-16-43-48/h4-10,12-13,16,22-23,25-26,29H,11,14-15H2,1-3H3,(H2,40,45)(H,44,50)/t22-,23+,25-,33-/m1/s1
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n/an/an/an/a 6.07n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461115
PNG
(US10774053, Compound 340)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N[C@H]2CC2(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(-c2cnn(c2)C(F)F)c(F)c1
Show InChI InChI=1S/C33H31ClF7N9O3/c1-31(2,3)14-32(18-5-6-19(21(35)9-18)17-11-44-48(12-17)28(38)39)27(51)49(29(42)47-32)23(13-53-30(52)46-24-10-33(24,40)41)16-4-7-20(34)22(8-16)50-26(25(36)37)43-15-45-50/h4-9,11-12,15,23-25,28H,10,13-14H2,1-3H3,(H2,42,47)(H,46,52)/t23-,24+,32-/m1/s1
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n/an/an/an/a 6.67n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461077
PNG
(US10774053, Compound 206)
Show SMILES Cn1ccc(n1)-c1ccc(cc1)[C@@]1(CC(C)(C)C)NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O
Show InChI InChI=1S/C34H35ClF5N9O3/c1-31(2,3)17-33(21-8-5-19(6-9-21)23-11-14-47(4)46-23)28(50)48(29(41)44-33)25(16-52-30(51)45-32(12-13-32)34(38,39)40)20-7-10-22(35)24(15-20)49-27(26(36)37)42-18-43-49/h5-11,14-15,18,25-26H,12-13,16-17H2,1-4H3,(H2,41,44)(H,45,51)/t25-,33-/m1/s1
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n/an/an/an/a 6.74n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM460995
PNG
(US10774053, Compound 117)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)C2=NC=NC2C(F)F)C1=O)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C35H34ClF5N8O3/c1-32(2,3)17-34(21-8-5-19(6-9-21)28-43-13-4-14-44-28)29(50)49(30(42)47-34)24(16-52-31(51)48-33(11-12-33)35(39,40)41)20-7-10-23(36)22(15-20)25-26(27(37)38)46-18-45-25/h4-10,13-15,18,24,26-27H,11-12,16-17H2,1-3H3,(H2,42,47)(H,48,51)/t24-,26?,34-/m1/s1
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n/an/an/an/a 6.81n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461195
PNG
(US10774053, Compound 242)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC(C)(C)C(F)(F)F)c2ccc(Cl)c(c2)-n2cncn2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C33H35ClF5N9O3/c1-30(2,3)16-32(22-9-6-19(7-10-22)21-13-42-46(14-21)27(35)36)26(49)48(28(40)44-32)25(15-51-29(50)45-31(4,5)33(37,38)39)20-8-11-23(34)24(12-20)47-18-41-17-43-47/h6-14,17-18,25,27H,15-16H2,1-5H3,(H2,40,44)(H,45,50)/t25-,32-/m1/s1
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n/an/an/an/a 6.83n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461080
PNG
(US10774053, Compound 210)
Show SMILES Cn1ccc(n1)-c1ccc(c(F)c1)[C@@]1(CC(C)(C)C)NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O
Show InChI InChI=1S/C34H34ClF6N9O3/c1-31(2,3)16-33(20-7-5-18(13-22(20)36)23-9-12-48(4)47-23)28(51)49(29(42)45-33)25(15-53-30(52)46-32(10-11-32)34(39,40)41)19-6-8-21(35)24(14-19)50-27(26(37)38)43-17-44-50/h5-9,12-14,17,25-26H,10-11,15-16H2,1-4H3,(H2,42,45)(H,46,52)/t25-,33-/m1/s1
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n/an/an/an/a 6.94n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461084
PNG
(US10774053, Compound 277)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C33H32ClF5N8O3S/c1-30(2,3)15-32(20-7-4-18(5-8-20)24-13-41-17-51-24)27(48)46(28(40)44-32)23(14-50-29(49)45-31(10-11-31)33(37,38)39)19-6-9-21(34)22(12-19)47-26(25(35)36)42-16-43-47/h4-9,12-13,16-17,23,25H,10-11,14-15H2,1-3H3,(H2,40,44)(H,45,49)/t23-,32-/m1/s1
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n/an/an/an/a 6.99n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461147
PNG
(US10774053, Compound 311)
Show SMILES C[C@H](NC(=O)OC[C@@H](N1C(=N)N[C@@](CC(C)(C)C)(C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F)c1ccc(Cl)c(c1)-n1ncnc1C(F)F)C(F)(F)F
Show InChI InChI=1S/C33H33ClF7N9O3/c1-17(33(39,40)41)46-30(52)53-14-24(19-7-10-22(34)23(11-19)50-26(25(35)36)43-16-45-50)49-27(51)32(47-29(49)42,15-31(2,3)4)21-8-5-18(6-9-21)20-12-44-48(13-20)28(37)38/h5-13,16-17,24-25,28H,14-15H2,1-4H3,(H2,42,47)(H,46,52)/t17-,24+,32+/m0/s1
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n/an/an/an/a 7.01n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461124
PNG
(US10774053, Compound 295)
Show SMILES Cn1ccc(n1)-c1ccc(cc1F)[C@@]1(CC(C)(C)C)NC(=N)N([C@H](COC(=O)NC2CC2(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O
Show InChI InChI=1S/C33H33ClF5N9O3/c1-31(2,3)15-32(18-6-7-19(21(35)12-18)22-9-10-46(4)45-22)28(49)47(29(40)44-32)24(14-51-30(50)43-25-13-33(25,38)39)17-5-8-20(34)23(11-17)48-27(26(36)37)41-16-42-48/h5-12,16,24-26H,13-15H2,1-4H3,(H2,40,44)(H,43,50)/t24-,25?,32-/m1/s1
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n/an/an/an/a 7.33n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461143
PNG
(US10774053, Compound 348)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc2c(nccc2c1)C(F)F
Show InChI InChI=1S/C34H32ClF7N8O3/c1-31(2,3)15-33(19-5-6-20-17(12-19)8-11-44-24(20)25(36)37)28(51)49(29(43)47-33)23(14-53-30(52)48-32(9-10-32)34(40,41)42)18-4-7-21(35)22(13-18)50-27(26(38)39)45-16-46-50/h4-8,11-13,16,23,25-26H,9-10,14-15H2,1-3H3,(H2,43,47)(H,48,52)/t23-,33-/m1/s1
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n/an/an/an/a 7.46n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461200
PNG
(US10774053, Compound 247)
Show SMILES Cc1ncnn1-c1cc(ccc1Cl)[C@@H](COC(=O)NC1(C)CC1)N1C(=N)N[C@@](CC(C)(C)C)(C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C34H38ClF2N9O3/c1-20-39-19-41-46(20)26-14-22(8-11-25(26)35)27(17-49-31(48)43-33(5)12-13-33)45-28(47)34(42-30(45)38,18-32(2,3)4)24-9-6-21(7-10-24)23-15-40-44(16-23)29(36)37/h6-11,14-16,19,27,29H,12-13,17-18H2,1-5H3,(H2,38,42)(H,43,48)/t27-,34-/m1/s1
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n/an/an/an/a 7.51n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461107
PNG
(US10774053, Compound 287)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N[C@@H]2C[C@@H]2F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C33H33ClF5N9O3/c1-32(2,3)15-33(20-7-4-17(5-8-20)19-12-42-46(13-19)29(38)39)28(49)47(30(40)45-33)25(14-51-31(50)44-23-11-22(23)35)18-6-9-21(34)24(10-18)48-27(26(36)37)41-16-43-48/h4-10,12-13,16,22-23,25-26,29H,11,14-15H2,1-3H3,(H2,40,45)(H,44,50)/t22-,23+,25+,33+/m0/s1
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n/an/an/an/a 7.55n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461030
PNG
(US10774053, Compound 151)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-c2ncnn2C(F)F)C1=O)c1ccc(cc1F)-c1cnn(CC(F)F)n1
Show InChI InChI=1S/C34H33ClF8N10O3/c1-31(2,3)15-33(20-6-4-17(11-22(20)36)23-12-46-51(50-23)13-25(37)38)27(54)52(29(44)48-33)24(14-56-30(55)49-32(8-9-32)34(41,42)43)18-5-7-21(35)19(10-18)26-45-16-47-53(26)28(39)40/h4-7,10-12,16,24-25,28H,8-9,13-15H2,1-3H3,(H2,44,48)(H,49,55)/t24-,33-/m1/s1
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n/an/an/an/a 7.55n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461066
PNG
(US10774053, Compound 199)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1F)-c1cncs1
Show InChI InChI=1S/C33H31ClF6N8O3S/c1-30(2,3)14-32(19-6-4-18(10-21(19)35)24-12-42-16-52-24)27(49)47(28(41)45-32)23(13-51-29(50)46-31(8-9-31)33(38,39)40)17-5-7-20(34)22(11-17)48-26(25(36)37)43-15-44-48/h4-7,10-12,15-16,23,25H,8-9,13-14H2,1-3H3,(H2,41,45)(H,46,50)/t23-,32-/m1/s1
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n/an/an/an/a 7.60n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461162
PNG
(US10774053, Compound 230)
Show SMILES C[C@H](NC(=O)OC[C@@H](N1C(=N)N[C@@](CC(C)(C)C)(C1=O)c1ccc(cc1)-c1cnn(n1)C1CC1)c1ccc(Cl)c(c1)-n1ncnc1C(F)F)C(F)(F)F
Show InChI InChI=1S/C34H36ClF5N10O3/c1-18(34(38,39)40)45-31(52)53-15-26(20-7-12-23(35)25(13-20)49-28(27(36)37)42-17-44-49)48-29(51)33(46-30(48)41,16-32(2,3)4)21-8-5-19(6-9-21)24-14-43-50(47-24)22-10-11-22/h5-9,12-14,17-18,22,26-27H,10-11,15-16H2,1-4H3,(H2,41,46)(H,45,52)/t18-,26+,33+/m0/s1
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n/an/an/an/a 7.62n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461036
PNG
(US10774053, Compound 157)
Show SMILES CC(C)(C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-c2ncnn2C(F)F)C1=O)c1ccc(cc1)-c1cnn(n1)C1CC1)C(F)(F)F
Show InChI InChI=1S/C35H36ClF5N10O3/c1-32(2,35(39,40)41)17-34(21-7-4-19(5-8-21)25-15-44-51(48-25)22-9-10-22)28(52)49(30(42)46-34)26(16-54-31(53)47-33(3)12-13-33)20-6-11-24(36)23(14-20)27-43-18-45-50(27)29(37)38/h4-8,11,14-15,18,22,26,29H,9-10,12-13,16-17H2,1-3H3,(H2,42,46)(H,47,53)/t26-,34-/m1/s1
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n/an/an/an/a 7.64n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461197
PNG
(US10774053, Compound 244)
Show SMILES CN(C1CC1)C(=O)OC[C@@H](N1C(=N)N[C@@](CC(C)(C)C)(C1=O)c1ccc(cc1)-c1cnn(c1)C1CC1)c1ccc(Cl)c(c1)-n1cncn1
Show InChI InChI=1S/C35H40ClN9O3/c1-34(2,3)19-35(25-8-5-22(6-9-25)24-16-39-43(17-24)27-12-13-27)31(46)45(32(37)41-35)30(18-48-33(47)42(4)26-10-11-26)23-7-14-28(36)29(15-23)44-21-38-20-40-44/h5-9,14-17,20-21,26-27,30H,10-13,18-19H2,1-4H3,(H2,37,41)/t30-,35-/m1/s1
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n/an/an/an/a 7.66n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM460991
PNG
(US10774053, Compound 113)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-c2ncnn2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C34H33ClF7N9O3/c1-31(2,3)16-33(21-7-4-18(5-8-21)20-13-45-49(14-20)27(36)37)26(52)50(29(43)47-33)24(15-54-30(53)48-32(10-11-32)34(40,41)42)19-6-9-23(35)22(12-19)25-44-17-46-51(25)28(38)39/h4-9,12-14,17,24,27-28H,10-11,15-16H2,1-3H3,(H2,43,47)(H,48,53)/t24-,33-/m1/s1
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n/an/an/an/a 7.75n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461130
PNG
(US10774053, Compound 298)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2CC2(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(-c2cnn(c2)C2CC2)c(F)c1
Show InChI InChI=1S/C35H35ClF5N9O3/c1-33(2,3)16-34(20-5-8-22(24(37)11-20)19-13-44-48(14-19)21-6-7-21)30(51)49(31(42)47-34)26(15-53-32(52)46-27-12-35(27,40)41)18-4-9-23(36)25(10-18)50-29(28(38)39)43-17-45-50/h4-5,8-11,13-14,17,21,26-28H,6-7,12,15-16H2,1-3H3,(H2,42,47)(H,46,52)/t26-,27?,34-/m1/s1
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n/an/an/an/a 7.83n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461014
PNG
(US10774053, Compound 136)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-c2ncnn2C(F)F)C1=O)c1ccc(-c2cnn(c2)C2CC2)c(F)c1F
Show InChI InChI=1S/C36H35ClF7N9O3/c1-33(2,3)16-35(23-8-7-21(26(38)27(23)39)19-13-47-51(14-19)20-5-6-20)29(54)52(31(45)49-35)25(15-56-32(55)50-34(10-11-34)36(42,43)44)18-4-9-24(37)22(12-18)28-46-17-48-53(28)30(40)41/h4,7-9,12-14,17,20,25,30H,5-6,10-11,15-16H2,1-3H3,(H2,45,49)(H,50,55)/t25-,35-/m1/s1
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n/an/an/an/a 7.91n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461022
PNG
(US10774053, Compound 144)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-c2ncnn2C(F)F)C1=O)c1ccc(-c2cnn(n2)C2CC2)c(F)c1
Show InChI InChI=1S/C35H35ClF6N10O3/c1-32(2,3)16-34(19-5-8-21(24(37)13-19)25-14-45-52(49-25)20-6-7-20)28(53)50(30(43)47-34)26(15-55-31(54)48-33(10-11-33)35(40,41)42)18-4-9-23(36)22(12-18)27-44-17-46-51(27)29(38)39/h4-5,8-9,12-14,17,20,26,29H,6-7,10-11,15-16H2,1-3H3,(H2,43,47)(H,48,54)/t26-,34-/m1/s1
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n/an/an/an/a 7.92n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461025
PNG
(US10774053, Compound 147)
Show SMILES C[C@H](NC(=O)OC[C@@H](N1C(=N)N[C@@](CC(C)(C)C)(C1=O)c1ccc(cc1)-c1cnn(n1)C1CC1)c1ccc(Cl)c(c1)-c1ncnn1C(F)F)C(F)(F)F
Show InChI InChI=1S/C34H36ClF5N10O3/c1-18(34(38,39)40)45-31(52)53-15-26(20-7-12-24(35)23(13-20)27-42-17-44-49(27)29(36)37)48-28(51)33(46-30(48)41,16-32(2,3)4)21-8-5-19(6-9-21)25-14-43-50(47-25)22-10-11-22/h5-9,12-14,17-18,22,26,29H,10-11,15-16H2,1-4H3,(H2,41,46)(H,45,52)/t18-,26+,33+/m0/s1
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n/an/an/an/a 7.93n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM460930
PNG
(US10774053, Compound 43)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-c2ncnn2C2CC2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C36H40ClF2N9O3/c1-34(2,3)19-36(24-8-5-21(6-9-24)23-16-42-46(17-23)31(38)39)30(49)47(32(40)44-36)28(18-51-33(50)45-35(4)13-14-35)22-7-12-27(37)26(15-22)29-41-20-43-48(29)25-10-11-25/h5-9,12,15-17,20,25,28,31H,10-11,13-14,18-19H2,1-4H3,(H2,40,44)(H,45,50)/t28-,36-/m1/s1
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n/an/an/an/a 8.18n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461172
PNG
(US10774053, Compound 314)
Show SMILES C[C@H](NC(=O)OC[C@@H](N1C(=N)N[C@@](CC(C)(C)C)(C1=O)c1ccc(-c2cnn(c2)C2CC2)c(F)c1)c1ccc(Cl)c(c1)-n1ncnc1C(F)F)C(F)(F)F
Show InChI InChI=1S/C35H36ClF6N9O3/c1-18(35(40,41)42)47-32(53)54-15-27(19-5-10-24(36)26(11-19)51-29(28(38)39)44-17-46-51)50-30(52)34(48-31(50)43,16-33(2,3)4)21-6-9-23(25(37)12-21)20-13-45-49(14-20)22-7-8-22/h5-6,9-14,17-18,22,27-28H,7-8,15-16H2,1-4H3,(H2,43,48)(H,47,53)/t18-,27+,34+/m0/s1
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n/an/an/an/a 8.19n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461116
PNG
(US10774053, Compound 289)
Show SMILES Cn1ccc(n1)-c1ccc(cc1F)[C@@]1(CC(C)(C)C)NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O
Show InChI InChI=1S/C34H34ClF6N9O3/c1-31(2,3)16-33(19-6-7-20(22(36)14-19)23-9-12-48(4)47-23)28(51)49(29(42)45-33)25(15-53-30(52)46-32(10-11-32)34(39,40)41)18-5-8-21(35)24(13-18)50-27(26(37)38)43-17-44-50/h5-9,12-14,17,25-26H,10-11,15-16H2,1-4H3,(H2,42,45)(H,46,52)/t25-,33-/m1/s1
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n/an/an/an/a 8.26n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461194
PNG
(US10774053, Compound 241)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC(C)(C)C)c2ccc(Cl)c(c2)-n2cncn2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C33H38ClF2N9O3/c1-31(2,3)17-33(23-10-7-20(8-11-23)22-14-39-43(15-22)28(35)36)27(46)45(29(37)41-33)26(16-48-30(47)42-32(4,5)6)21-9-12-24(34)25(13-21)44-19-38-18-40-44/h7-15,18-19,26,28H,16-17H2,1-6H3,(H2,37,41)(H,42,47)/t26-,33-/m1/s1
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n/an/an/an/a 8.36n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461121
PNG
(US10774053, Compound 341)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N[C@@H]2CC22CC2)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C35H36ClF4N9O3/c1-33(2,3)17-35(22-7-4-19(5-8-22)21-14-43-47(15-21)30(39)40)29(50)48(31(41)46-35)25(16-52-32(51)45-26-13-34(26)10-11-34)20-6-9-23(36)24(12-20)49-28(27(37)38)42-18-44-49/h4-9,12,14-15,18,25-27,30H,10-11,13,16-17H2,1-3H3,(H2,41,46)(H,45,51)/t25-,26-,35-/m1/s1
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n/an/an/an/a 8.54n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461126
PNG
(US10774053, Compound 296)
Show SMILES Cn1ccc(n1)-c1ccc(cc1)[C@@]1(CC(C)(C)C)NC(=N)N([C@H](COC(=O)N[C@H]2CC2(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O
Show InChI InChI=1S/C33H34ClF4N9O3/c1-31(2,3)16-32(20-8-5-18(6-9-20)22-11-12-45(4)44-22)28(48)46(29(39)43-32)24(15-50-30(49)42-25-14-33(25,37)38)19-7-10-21(34)23(13-19)47-27(26(35)36)40-17-41-47/h5-13,17,24-26H,14-16H2,1-4H3,(H2,39,43)(H,42,49)/t24-,25+,32-/m1/s1
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n/an/an/an/a 8.57n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461153
PNG
(US10774053, Compound 353)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc2nc(ccc2c1)C1CC1
Show InChI InChI=1S/C36H36ClF5N8O3/c1-33(2,3)17-35(22-8-11-25-20(14-22)7-10-24(46-25)19-4-5-19)30(51)49(31(43)47-35)27(16-53-32(52)48-34(12-13-34)36(40,41)42)21-6-9-23(37)26(15-21)50-29(28(38)39)44-18-45-50/h6-11,14-15,18-19,27-28H,4-5,12-13,16-17H2,1-3H3,(H2,43,47)(H,48,52)/t27-,35-/m1/s1
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n/an/an/an/a 8.59n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461069
PNG
(US10774053, Compound 202)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1F)-c1cnccn1
Show InChI InChI=1S/C34H32ClF6N9O3/c1-31(2,3)16-33(20-6-4-18(12-22(20)36)23-14-43-10-11-44-23)28(51)49(29(42)47-33)25(15-53-30(52)48-32(8-9-32)34(39,40)41)19-5-7-21(35)24(13-19)50-27(26(37)38)45-17-46-50/h4-7,10-14,17,25-26H,8-9,15-16H2,1-3H3,(H2,42,47)(H,48,52)/t25-,33-/m1/s1
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n/an/an/an/a 8.67n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461123
PNG
(US10774053, Compound 294)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2CC2(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C35H36ClF4N9O3/c1-33(2,3)17-34(22-7-4-19(5-8-22)21-14-43-47(15-21)23-9-10-23)30(50)48(31(41)46-34)26(16-52-32(51)45-27-13-35(27,39)40)20-6-11-24(36)25(12-20)49-29(28(37)38)42-18-44-49/h4-8,11-12,14-15,18,23,26-28H,9-10,13,16-17H2,1-3H3,(H2,41,46)(H,45,51)/t26-,27?,34-/m1/s1
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n/an/an/an/a 8.74n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461187
PNG
(US10774053, Compound 237)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-n2cncn2)C1=O)c1ccc(-c2cnn(c2)C(F)F)c(F)c1F
Show InChI InChI=1S/C33H34ClF4N9O3/c1-31(2,3)15-33(21-7-6-20(25(35)26(21)36)19-12-41-45(13-19)28(37)38)27(48)47(29(39)43-33)24(14-50-30(49)44-32(4)9-10-32)18-5-8-22(34)23(11-18)46-17-40-16-42-46/h5-8,11-13,16-17,24,28H,9-10,14-15H2,1-4H3,(H2,39,43)(H,44,49)/t24-,33-/m1/s1
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n/an/an/an/a 8.79n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461070
PNG
(US10774053, Compound 203)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC(F)F)CC2)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C35H36ClF6N9O3/c1-33(2,3)17-35(22-7-4-19(5-8-22)21-14-45-49(15-21)30(41)42)29(52)50(31(43)47-35)25(16-54-32(53)48-34(10-11-34)13-26(37)38)20-6-9-23(36)24(12-20)51-28(27(39)40)44-18-46-51/h4-9,12,14-15,18,25-27,30H,10-11,13,16-17H2,1-3H3,(H2,43,47)(H,48,53)/t25-,35-/m1/s1
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n/an/an/an/a 8.79n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461113
PNG
(US10774053, Compound 219)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NCC(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C32H32ClF6N9O3/c1-31(2,3)15-32(20-7-4-17(5-8-20)19-11-43-46(13-19)28(38)39)27(49)47(29(40)45-32)23(14-51-30(50)41-12-24(34)35)18-6-9-21(33)22(10-18)48-26(25(36)37)42-16-44-48/h4-11,13,16,23-25,28H,12,14-15H2,1-3H3,(H2,40,45)(H,41,50)/t23-,32-/m1/s1
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n/an/an/an/a 8.80n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461150
PNG
(US10774053, Compound 350)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc2nc(ccc2c1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C37H34ClF7N10O3/c1-34(2,3)17-36(22-6-9-24-19(12-22)5-8-25(50-24)21-14-48-53(15-21)31(41)42)30(56)54(32(46)51-36)27(16-58-33(57)52-35(10-11-35)37(43,44)45)20-4-7-23(38)26(13-20)55-29(28(39)40)47-18-49-55/h4-9,12-15,18,27-28,31H,10-11,16-17H2,1-3H3,(H2,46,51)(H,52,57)/t27-,36-/m1/s1
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n/an/an/an/a 8.90n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461122
PNG
(US10774053, Compound 342)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N[C@H]2CC22CC2)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C35H36ClF4N9O3/c1-33(2,3)17-35(22-7-4-19(5-8-22)21-14-43-47(15-21)30(39)40)29(50)48(31(41)46-35)25(16-52-32(51)45-26-13-34(26)10-11-34)20-6-9-23(36)24(12-20)49-28(27(37)38)42-18-44-49/h4-9,12,14-15,18,25-27,30H,10-11,13,16-17H2,1-3H3,(H2,41,46)(H,45,51)/t25-,26+,35-/m1/s1
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n/an/an/an/a 8.92n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461097
PNG
(US10774053, Compound 334 | US10774053, Compound 33...)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N[C@@H]2CC2(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C33H32ClF6N9O3/c1-31(2,3)15-32(20-7-4-17(5-8-20)19-12-43-47(13-19)28(37)38)27(50)48(29(41)46-32)23(14-52-30(51)45-24-11-33(24,39)40)18-6-9-21(34)22(10-18)49-26(25(35)36)42-16-44-49/h4-10,12-13,16,23-25,28H,11,14-15H2,1-3H3,(H2,41,46)(H,45,51)/t23-,24-,32-/m1/s1
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n/an/an/an/a 8.98n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461041
PNG
(US10774053, Compound 163)
Show SMILES C[C@H](NC(=O)OC[C@@H](N1C(=N)N[C@@](CC(C)(C)C)(C1=O)c1ccc(cc1)-c1cnn(n1)C(F)F)c1ccc(Cl)c(c1)-c1ncnn1C(F)F)C(F)(F)F
Show InChI InChI=1S/C32H32ClF7N10O3/c1-16(32(38,39)40)45-29(52)53-13-23(18-7-10-21(33)20(11-18)24-42-15-44-49(24)26(34)35)48-25(51)31(46-28(48)41,14-30(2,3)4)19-8-5-17(6-9-19)22-12-43-50(47-22)27(36)37/h5-12,15-16,23,26-27H,13-14H2,1-4H3,(H2,41,46)(H,45,52)/t16-,23+,31+/m0/s1
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n/an/an/an/a 9.06n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461114
PNG
(US10774053, Compound 339)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N[C@@H]2CC2(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(-c2cnn(c2)C(F)F)c(F)c1
Show InChI InChI=1S/C33H31ClF7N9O3/c1-31(2,3)14-32(18-5-6-19(21(35)9-18)17-11-44-48(12-17)28(38)39)27(51)49(29(42)47-32)23(13-53-30(52)46-24-10-33(24,40)41)16-4-7-20(34)22(8-16)50-26(25(36)37)43-15-45-50/h4-9,11-12,15,23-25,28H,10,13-14H2,1-3H3,(H2,42,47)(H,46,52)/t23-,24-,32-/m1/s1
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n/an/an/an/a 9.09n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461196
PNG
(US10774053, Compound 243)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2CC2)c2ccc(Cl)c(c2)-n2cncn2)C1=O)c1ccc(cc1)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C34H38ClN9O3/c1-33(2,3)18-34(24-7-4-21(5-8-24)23-15-38-42(16-23)26-11-12-26)30(45)44(31(36)41-34)29(17-47-32(46)40-25-9-10-25)22-6-13-27(35)28(14-22)43-20-37-19-39-43/h4-8,13-16,19-20,25-26,29H,9-12,17-18H2,1-3H3,(H2,36,41)(H,40,46)/t29-,34-/m1/s1
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n/an/an/an/a 9.11n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461056
PNG
(US10774053, Compound 189)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC(C)(C)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C34H35ClF5N9O3/c1-31(2,3)17-33(21-10-7-19(8-11-21)26-42-13-6-14-43-26)28(50)48(29(41)46-33)24(16-52-30(51)47-32(4,5)34(38,39)40)20-9-12-22(35)23(15-20)49-27(25(36)37)44-18-45-49/h6-15,18,24-25H,16-17H2,1-5H3,(H2,41,46)(H,47,51)/t24-,33-/m1/s1
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n/an/an/an/a 9.12n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461071
PNG
(US10774053, Compound 204)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N[C@@H]2C[C@H]2C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C34H33ClF7N9O3/c1-32(2,3)15-33(20-7-4-17(5-8-20)19-12-45-49(13-19)29(38)39)28(52)50(30(43)48-33)25(14-54-31(53)47-23-11-21(23)34(40,41)42)18-6-9-22(35)24(10-18)51-27(26(36)37)44-16-46-51/h4-10,12-13,16,21,23,25-26,29H,11,14-15H2,1-3H3,(H2,43,48)(H,47,53)/t21-,23-,25-,33-/m1/s1
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n/an/an/an/a 9.26n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461068
PNG
(US10774053, Compound 201)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnccn1
Show InChI InChI=1S/C34H33ClF5N9O3/c1-31(2,3)17-33(21-7-4-19(5-8-21)23-15-42-12-13-43-23)28(50)48(29(41)46-33)25(16-52-30(51)47-32(10-11-32)34(38,39)40)20-6-9-22(35)24(14-20)49-27(26(36)37)44-18-45-49/h4-9,12-15,18,25-26H,10-11,16-17H2,1-3H3,(H2,41,46)(H,47,51)/t25-,33-/m1/s1
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n/an/an/an/a 9.26n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461171
PNG
(US10774053, Compound 234)
Show SMILES C[C@H](NC(=O)OC[C@@H](N1C(=N)N[C@@](CC(C)(C)C)(C1=O)c1ccc(cc1)-c1cnn(c1)C1CC1)c1ccc(Cl)c(c1)-n1ncnc1C(F)F)C(F)(F)F
Show InChI InChI=1S/C35H37ClF5N9O3/c1-19(35(39,40)41)46-32(52)53-16-27(21-7-12-25(36)26(13-21)50-29(28(37)38)43-18-45-50)49-30(51)34(47-31(49)42,17-33(2,3)4)23-8-5-20(6-9-23)22-14-44-48(15-22)24-10-11-24/h5-9,12-15,18-19,24,27-28H,10-11,16-17H2,1-4H3,(H2,42,47)(H,46,52)/t19-,27+,34+/m0/s1
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n/an/an/an/a 9.28n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM461045
PNG
(US10774053, Compound 179)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)F)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C34H34ClF6N9O3/c1-32(2,3)16-34(21-7-4-18(5-8-21)20-13-44-48(14-20)29(40)41)28(51)49(30(42)46-34)24(15-53-31(52)47-33(10-11-33)27(38)39)19-6-9-22(35)23(12-19)50-26(25(36)37)43-17-45-50/h4-9,12-14,17,24-25,27,29H,10-11,15-16H2,1-3H3,(H2,42,46)(H,47,52)/t24-,34-/m1/s1
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n/an/an/an/a 9.37n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM460904
PNG
(US10774053, Compound 18)
Show SMILES Cn1ncnc1-c1cc(ccc1Cl)[C@@H](COC(=O)NC1CC1)N1C(=N)N[C@@](CC(C)(C)C)(C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C33H36ClF2N9O3/c1-32(2,3)17-33(22-8-5-19(6-9-22)21-14-39-44(15-21)29(35)36)28(46)45(30(37)42-33)26(16-48-31(47)41-23-10-11-23)20-7-12-25(34)24(13-20)27-38-18-40-43(27)4/h5-9,12-15,18,23,26,29H,10-11,16-17H2,1-4H3,(H2,37,42)(H,41,47)/t26-,33-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 9.56n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)

More data for this
Ligand-Target Pair
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