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Patent code US10806785

Compile Data Set for Download or QSAR

Found 205 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468524
PNG
(US10806785, Example 153 | trans-4-(2-(2- ((2-chlor...)
Show SMILES Cn1c2CCN(CC[C@H]3CC[C@@H](CC3)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)c1C#N
Show InChI InChI=1S/C43H50ClN9O5/c1-50-36-14-19-52(18-13-26-9-11-27(12-10-26)43(56)57)24-34(36)46-40(50)42(55)49-33-8-4-6-30(38(33)44)29-5-3-7-32(31(29)23-45)48-41(54)39-47-35-25-53(20-15-37(35)51(39)2)28-16-21-58-22-17-28/h3-8,26-28H,9-22,24-25H2,1-2H3,(H,48,54)(H,49,55)(H,56,57)/t26-,27-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468525
PNG
(US10806785, Example 154 | trans-4-(2-(2-((2′...)
Show SMILES CCN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CC[C@H]5CC[C@@H](CC5)C(O)=O)CCc4n3C)c1C#N)n2C
Show InChI InChI=1S/C40H46ClN9O4/c1-4-49-19-16-33-31(22-49)43-37(47(33)2)39(52)46-30-10-6-8-27(35(30)41)26-7-5-9-29(28(26)21-42)45-38(51)36-44-32-23-50(20-17-34(32)48(36)3)18-15-24-11-13-25(14-12-24)40(53)54/h5-10,24-25H,4,11-20,22-23H2,1-3H3,(H,45,51)(H,46,52)(H,53,54)/t24-,25-
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US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM395421
PNG
((R)-1-((2-(2′-chloro-3′-(3-(((S)-3-hyd...)
Show SMILES Cc1c(cccc1-c1cccc(Nc2nccc3cc(CN4CC[C@H](O)C4)cnc23)c1Cl)-c1nc2cc(CN3CC[C@](C)(C3)C(O)=O)cc(C#N)c2o1
Show InChI InChI=1S/C41H38ClN7O4/c1-24-30(5-3-6-31(24)39-47-34-17-25(15-28(18-43)37(34)53-39)20-49-14-11-41(2,23-49)40(51)52)32-7-4-8-33(35(32)42)46-38-36-27(9-12-44-38)16-26(19-45-36)21-48-13-10-29(50)22-48/h3-9,12,15-17,19,29,50H,10-11,13-14,20-23H2,1-2H3,(H,44,46)(H,51,52)/t29-,41+/m0/s1
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US Patent


Assay Description
Binding assays were conducted in a low volume white 384-well polystyrene plate in a final volume of 20 μL. Compounds to be analyzed were first s...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468409
PNG
((R)óN-(2-chloro-3′-(5-((3-hydroxypyrrolidin-...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3cc(CN4CC[C@@H](O)C4)cn(C)c3=O)c1C)n2C
Show InChI InChI=1S/C34H38ClN7O4/c1-20-23(24-8-6-10-27(30(24)35)38-33(45)31-36-28-19-39(2)13-12-29(28)41(31)4)7-5-9-26(20)37-32(44)25-15-21(16-40(3)34(25)46)17-42-14-11-22(43)18-42/h5-10,15-16,22,43H,11-14,17-19H2,1-4H3,(H,37,44)(H,38,45)/t22-/m1/s1
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468413
PNG
((S)óN-(2-chloro-2′-methyl-3′-(1-methyl...)
Show SMILES C[C@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3cc(CN4CCCC4)cn(C)c3=O)c1C)n2C
Show InChI InChI=1S/C36H42ClN7O4/c1-22(45)18-44-16-13-31-30(21-44)38-33(42(31)4)35(47)40-29-12-8-10-26(32(29)37)25-9-7-11-28(23(25)2)39-34(46)27-17-24(19-41(3)36(27)48)20-43-14-5-6-15-43/h7-12,17,19,22,45H,5-6,13-16,18,20-21H2,1-4H3,(H,39,46)(H,40,47)/t22-/m0/s1
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US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468416
PNG
(US10806785, Example 60 | trans-4-((2-(2,2′-d...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(C[C@H]5CC[C@@H](CC5)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C37H42Cl2N8O4/c1-44-16-14-29-27(19-44)40-33(45(29)2)35(48)42-25-8-4-6-23(31(25)38)24-7-5-9-26(32(24)39)43-36(49)34-41-28-20-47(17-15-30(28)46(34)3)18-21-10-12-22(13-11-21)37(50)51/h4-9,21-22H,10-20H2,1-3H3,(H,42,48)(H,43,49)(H,50,51)/t21-,22-
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Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468418
PNG
(US10806785, Example 62 | trans-4-((2-(2,2′-d...)
Show SMILES CCN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(C[C@H]5CC[C@@H](CC5)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C38H44Cl2N8O4/c1-4-47-17-15-30-28(20-47)41-34(45(30)2)36(49)43-26-9-5-7-24(32(26)39)25-8-6-10-27(33(25)40)44-37(50)35-42-29-21-48(18-16-31(29)46(35)3)19-22-11-13-23(14-12-22)38(51)52/h5-10,22-23H,4,11-21H2,1-3H3,(H,43,49)(H,44,50)(H,51,52)/t22-,23-
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US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468423
PNG
(US10806785, Example 67 | trans-4-((2-((2,2'-dichlo...)
Show SMILES C[C@@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(C[C@H]5CC[C@@H](CC5)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C39H46Cl2N8O5/c1-22(50)18-48-16-14-31-29(20-48)42-35(46(31)2)37(51)44-27-8-4-6-25(33(27)40)26-7-5-9-28(34(26)41)45-38(52)36-43-30-21-49(17-15-32(30)47(36)3)19-23-10-12-24(13-11-23)39(53)54/h4-9,22-24,50H,10-21H2,1-3H3,(H,44,51)(H,45,52)(H,53,54)/t22-,23-,24-/m1/s1
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US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468425
PNG
(US10806785, Example 69 | cis-4-((2-((2,2′-di...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(C[C@H]5CC[C@H](CC5)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C37H42Cl2N8O4/c1-44-16-14-29-27(19-44)40-33(45(29)2)35(48)42-25-8-4-6-23(31(25)38)24-7-5-9-26(32(24)39)43-36(49)34-41-28-20-47(17-15-30(28)46(34)3)18-21-10-12-22(13-11-21)37(50)51/h4-9,21-22H,10-20H2,1-3H3,(H,42,48)(H,43,49)(H,50,51)/t21-,22+
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468447
PNG
(US10806785, Example 89 | trans-4-(2-(2-((2,2'-dich...)
Show SMILES Cn1c2CCN(CC[C@H]3CC[C@@H](CC3)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCC2)c1Cl
Show InChI InChI=1S/C41H48Cl2N8O4/c1-48-33-17-20-50(19-16-24-12-14-25(15-13-24)41(54)55)22-31(33)44-37(48)39(52)46-29-10-4-8-27(35(29)42)28-9-5-11-30(36(28)43)47-40(53)38-45-32-23-51(26-6-3-7-26)21-18-34(32)49(38)2/h4-5,8-11,24-26H,3,6-7,12-23H2,1-2H3,(H,46,52)(H,47,53)(H,54,55)/t24-,25-
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US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468451
PNG
(US10806785, Example 93 | trans-4-(2-(2-((2,2′...)
Show SMILES Cn1c2CCN(CCO)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CC[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C39H46Cl2N8O5/c1-46-31-14-17-48(16-13-23-9-11-24(12-10-23)39(53)54)21-29(31)42-35(46)37(51)44-27-7-3-5-25(33(27)40)26-6-4-8-28(34(26)41)45-38(52)36-43-30-22-49(19-20-50)18-15-32(30)47(36)2/h3-8,23-24,50H,9-22H2,1-2H3,(H,44,51)(H,45,52)(H,53,54)/t23-,24-
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US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468453
PNG
(US10806785, Example 95 | trans-4-(2-(2-((2,2'-dich...)
Show SMILES C[C@@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CC[C@H]5CC[C@@H](CC5)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C40H48Cl2N8O5/c1-23(51)20-50-19-16-33-31(22-50)44-37(48(33)3)39(53)46-29-9-5-7-27(35(29)42)26-6-4-8-28(34(26)41)45-38(52)36-43-30-21-49(18-15-32(30)47(36)2)17-14-24-10-12-25(13-11-24)40(54)55/h4-9,23-25,51H,10-22H2,1-3H3,(H,45,52)(H,46,53)(H,54,55)/t23-,24-,25-/m1/s1
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Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468455
PNG
(4-(2-((2,2'-dichloro-3'-(1- methyl-5-(tetrahydro-2...)
Show SMILES Cn1c2CCN(Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCC(CC2)C(O)=O)c1Cl)C1CCOCC1
Show InChI InChI=1S/C40H46Cl2N8O5/c1-47-32-13-17-49(24-11-9-23(10-12-24)40(53)54)21-30(32)43-36(47)38(51)45-28-7-3-5-26(34(28)41)27-6-4-8-29(35(27)42)46-39(52)37-44-31-22-50(18-14-33(31)48(37)2)25-15-19-55-20-16-25/h3-8,23-25H,9-22H2,1-2H3,(H,45,51)(H,46,52)(H,53,54)
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US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468462
PNG
(4-(2-((2′-chloro-3′-(1,5-dimethyl-4,5,...)
Show SMILES CCC1(CCC(CC1)N1CCc2c(C1)nc(C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c3nc4CN(C)CCc4n3C)c1Cl)n2C)C(O)=O
Show InChI InChI=1S/C39H47ClN8O4/c1-6-39(38(51)52)17-13-24(14-18-39)48-20-16-32-30(22-48)42-34(47(32)5)36(49)43-27-11-7-9-25(23(27)2)26-10-8-12-28(33(26)40)44-37(50)35-41-29-21-45(3)19-15-31(29)46(35)4/h7-12,24H,6,13-22H2,1-5H3,(H,43,49)(H,44,50)(H,51,52)
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US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468464
PNG
(4-(2-((2'-chloro- 3'-(5-isopropyl- 1-methyl-4,5,6,...)
Show SMILES CC(C)N1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCc4n3C)C3CCC(C)(CC3)C(O)=O)c1C)n2C
Show InChI InChI=1S/C40H49ClN8O4/c1-23(2)48-19-15-32-30(21-48)42-36(46(32)5)38(51)45-29-12-8-10-27(34(29)41)26-9-7-11-28(24(26)3)44-37(50)35-43-31-22-49(20-16-33(31)47(35)6)25-13-17-40(4,18-14-25)39(52)53/h7-12,23,25H,13-22H2,1-6H3,(H,44,50)(H,45,51)(H,52,53)
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US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468469
PNG
(4-(2-((2'- chloro- 2-methyl-3'- (1-methyl-5- (tetr...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCc3n2C)C2CCC(CC2)C(O)=O)cccc1-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)c1Cl
Show InChI InChI=1S/C41H49ClN8O5/c1-24-28(6-4-8-30(24)45-39(51)37-43-32-22-49(18-14-34(32)47(37)2)26-12-10-25(11-13-26)41(53)54)29-7-5-9-31(36(29)42)46-40(52)38-44-33-23-50(19-15-35(33)48(38)3)27-16-20-55-21-17-27/h4-9,25-27H,10-23H2,1-3H3,(H,45,51)(H,46,52)(H,53,54)
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468472
PNG
(US10806785, Example 114 | cis-4-((2-((2′-chl...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(C[C@H]5CC[C@H](CC5)C(O)=O)CCc4n3C)c1C)n2C
Show InChI InChI=1S/C38H45ClN8O4/c1-22-25(26-8-6-10-28(33(26)39)43-37(49)35-40-29-20-44(2)17-15-31(29)45(35)3)7-5-9-27(22)42-36(48)34-41-30-21-47(18-16-32(30)46(34)4)19-23-11-13-24(14-12-23)38(50)51/h5-10,23-24H,11-21H2,1-4H3,(H,42,48)(H,43,49)(H,50,51)/t23-,24+
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468480
PNG
(US10806785, Example 120-1)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c3nc4CN(CC5CC[C@](C)(CC5)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C39H47ClN8O4/c1-23-25(8-6-10-27(23)43-36(49)34-41-29-21-45(3)18-14-31(29)46(34)4)26-9-7-11-28(33(26)40)44-37(50)35-42-30-22-48(19-15-32(30)47(35)5)20-24-12-16-39(2,17-13-24)38(51)52/h6-11,24H,12-22H2,1-5H3,(H,43,49)(H,44,50)(H,51,52)/t24?,39-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468483
PNG
(US10806785, Example 122 | trans-4-(2-(2-((2-chloro...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)cccc1-c1cccc(NC(=O)c2nc3CN(CC[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C43H53ClN8O5/c1-26-30(6-4-8-32(26)47-41(53)39-46-35-25-52(21-16-37(35)50(39)3)29-17-22-57-23-18-29)31-7-5-9-33(38(31)44)48-42(54)40-45-34-24-51(20-15-36(34)49(40)2)19-14-27-10-12-28(13-11-27)43(55)56/h4-9,27-29H,10-25H2,1-3H3,(H,47,53)(H,48,54)(H,55,56)/t27-,28-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468495
PNG
(US10806785, Example 133 | trans-4- (2-(2- (2-chlor...)
Show SMILES C[C@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c3nc4CN(CC[C@H]5CC[C@@H](CC5)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C41H51ClN8O5/c1-24(51)21-50-20-17-35-33(23-50)44-37(48(35)4)39(52)45-30-9-5-7-28(25(30)2)29-8-6-10-31(36(29)42)46-40(53)38-43-32-22-49(19-16-34(32)47(38)3)18-15-26-11-13-27(14-12-26)41(54)55/h5-10,24,26-27,51H,11-23H2,1-4H3,(H,45,52)(H,46,53)(H,54,55)/t24-,26-,27-/m0/s1
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468511
PNG
(US10806785, Example 143-2)
Show SMILES C[C@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c3nc4CN(CCc4n3C)C3CC[C@](C)(CC3)C(O)=O)c1Cl)n2C
Show InChI InChI=1S/C40H49ClN8O5/c1-23(50)20-48-18-14-32-30(21-48)42-35(46(32)4)37(51)44-28-10-6-8-26(24(28)2)27-9-7-11-29(34(27)41)45-38(52)36-43-31-22-49(19-15-33(31)47(36)5)25-12-16-40(3,17-13-25)39(53)54/h6-11,23,25,50H,12-22H2,1-5H3,(H,44,51)(H,45,52)(H,53,54)/t23-,25?,40-/m0/s1
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468515
PNG
(US10806785, Example 145-2)
Show SMILES Cn1c2CCN(C[C@H]3CC[C@@H](CC3)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCC(O)CC2)c1Cl
Show InChI InChI=1S/C42H50Cl2N8O5/c1-49-34-17-19-51(21-24-9-11-25(12-10-24)42(56)57)22-32(34)45-38(49)40(54)47-30-7-3-5-28(36(30)43)29-6-4-8-31(37(29)44)48-41(55)39-46-33-23-52(20-18-35(33)50(39)2)26-13-15-27(53)16-14-26/h3-8,24-27,53H,9-23H2,1-2H3,(H,47,54)(H,48,55)(H,56,57)/t24-,25-,26?,27?
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468522
PNG
(US10806785, Example 151 | trans-4-(2-(2- ((2-chlor...)
Show SMILES CCN1CCc2c(C1)nc(C(=O)Nc1cccc(-c3cccc(NC(=O)c4nc5CN(CC[C@H]6CC[C@@H](CC6)C(O)=O)CCc5n4C)c3Cl)c1C#N)n2C
Show InChI InChI=1S/C40H46ClN9O4/c1-4-49-19-16-33-31(22-49)43-36(47(33)2)38(51)45-29-9-5-7-26(28(29)21-42)27-8-6-10-30(35(27)41)46-39(52)37-44-32-23-50(20-17-34(32)48(37)3)18-15-24-11-13-25(14-12-24)40(53)54/h5-10,24-25H,4,11-20,22-23H2,1-3H3,(H,45,51)(H,46,52)(H,53,54)/t24-,25-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468527
PNG
(US10806785, Example 156 | trans-4-((2-((2′-c...)
Show SMILES CCN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(C[C@H]5CC[C@@H](CC5)C(O)=O)CCc4n3C)c1C#N)n2C
Show InChI InChI=1S/C39H44ClN9O4/c1-4-48-17-15-32-30(21-48)42-36(46(32)2)38(51)45-29-10-6-8-26(34(29)40)25-7-5-9-28(27(25)19-41)44-37(50)35-43-31-22-49(18-16-33(31)47(35)3)20-23-11-13-24(14-12-23)39(52)53/h5-10,23-24H,4,11-18,20-22H2,1-3H3,(H,44,50)(H,45,51)(H,52,53)/t23-,24-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468530
PNG
(US10806785, Example 159 | trans- 4-((2-(2- chloro-...)
Show SMILES CCN(C)CC(=O)N1Cc2nc(sc2C1)-c1cccc(c1C)-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C39H46ClN7O4S/c1-5-44(3)22-34(48)47-20-31-33(21-47)52-38(43-31)27-9-6-8-26(23(27)2)28-10-7-11-29(35(28)40)42-37(49)36-41-30-19-46(17-16-32(30)45(36)4)18-24-12-14-25(15-13-24)39(50)51/h6-11,24-25H,5,12-22H2,1-4H3,(H,42,49)(H,50,51)/t24-,25-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468541
PNG
(4-(2- (2-(2,2'- di- chloro- 3'-(5-(2- (3-hy- droxy...)
Show SMILES Cn1c2CCN(CCC3CCC(CC3)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(-c2nc3CN(Cc3o2)C(=O)CN2CC(O)C2)c1Cl
Show InChI InChI=1S/C39H43Cl2N7O6/c1-45-31-13-15-46(14-12-22-8-10-23(11-9-22)39(52)53)18-29(31)42-36(45)37(51)43-28-7-3-5-26(35(28)41)25-4-2-6-27(34(25)40)38-44-30-19-48(20-32(30)54-38)33(50)21-47-16-24(49)17-47/h2-7,22-24,49H,8-21H2,1H3,(H,43,51)(H,52,53)
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468548
PNG
(4-((2-(2,2′-dichloro-3′-(5-ethyl-1-met...)
Show SMILES CCN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C39H44Cl2N8O4/c1-4-48-17-11-29-27(19-48)42-33(46(29)2)35(50)44-25-9-5-7-23(31(25)40)24-8-6-10-26(32(24)41)45-36(51)34-43-28-20-49(18-12-30(28)47(34)3)22-38-13-15-39(21-38,16-14-38)37(52)53/h5-10H,4,11-22H2,1-3H3,(H,44,50)(H,45,51)(H,52,53)
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468556
PNG
(US10806785, Example 183-2)
Show SMILES Cn1c2CCN(C[C@@]34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCC(O)CC2)c1Cl
Show InChI InChI=1S/C43H50Cl2N8O5/c1-50-33-13-19-52(24-42-15-17-43(23-42,18-16-42)41(57)58)21-31(33)46-37(50)39(55)48-29-7-3-5-27(35(29)44)28-6-4-8-30(36(28)45)49-40(56)38-47-32-22-53(20-14-34(32)51(38)2)25-9-11-26(54)12-10-25/h3-8,25-26,54H,9-24H2,1-2H3,(H,48,55)(H,49,56)(H,57,58)/t25?,26?,42-,43?
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468397
PNG
(N-(2-chloro-2′-methyl-3′-(1-methyl-5-(...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCCNS(C)(=O)=O)CCc4n3C)c1C)n2C
Show InChI InChI=1S/C34H42ClN9O4S/c1-21-22(23-10-7-12-25(30(23)35)40-34(46)32-37-26-19-41(2)17-13-28(26)42(32)3)9-6-11-24(21)39-33(45)31-38-27-20-44(18-14-29(27)43(31)4)16-8-15-36-49(5,47)48/h6-7,9-12,36H,8,13-20H2,1-5H3,(H,39,45)(H,40,46)
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468399
PNG
(N-(2-chloro-2′-cyano-3′-(1,5-dimethyl-...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(-c3cccc(NC(=O)c4nc5CN(CCO)CCc5n4C)c3Cl)c1C#N)n2C
Show InChI InChI=1S/C32H34ClN9O3/c1-39-12-10-26-24(17-39)35-29(40(26)2)31(44)37-22-8-4-6-19(21(22)16-34)20-7-5-9-23(28(20)33)38-32(45)30-36-25-18-42(14-15-43)13-11-27(25)41(30)3/h4-9,43H,10-15,17-18H2,1-3H3,(H,37,44)(H,38,45)
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468410
PNG
((R)-1-((5-(2′-chloro-3′-(1,5-dimethyl-...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3cc(CN4CC[C@H](C4)C(O)=O)cn(C)c3=O)c1C)n2C
Show InChI InChI=1S/C35H38ClN7O5/c1-20-23(24-8-6-10-27(30(24)36)39-33(45)31-37-28-19-40(2)13-12-29(28)42(31)4)7-5-9-26(20)38-32(44)25-15-21(16-41(3)34(25)46)17-43-14-11-22(18-43)35(47)48/h5-10,15-16,22H,11-14,17-19H2,1-4H3,(H,38,44)(H,39,45)(H,47,48)/t22-/m1/s1
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468417
PNG
(US10806785, Example 61 | trans-4-((2-(2,2′-d...)
Show SMILES Cn1c2CCNCc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C36H40Cl2N8O4/c1-44-28-13-15-39-17-26(28)40-32(44)34(47)42-24-7-3-5-22(30(24)37)23-6-4-8-25(31(23)38)43-35(48)33-41-27-19-46(16-14-29(27)45(33)2)18-20-9-11-21(12-10-20)36(49)50/h3-8,20-21,39H,9-19H2,1-2H3,(H,42,47)(H,43,48)(H,49,50)/t20-,21-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468419
PNG
(US10806785, Example 63 | trans-4-((2-(2,2'-dichlor...)
Show SMILES Cn1c2CCN(CC3CC3)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C40H46Cl2N8O4/c1-47-32-15-17-49(19-23-9-10-23)21-30(32)43-36(47)38(51)45-28-7-3-5-26(34(28)41)27-6-4-8-29(35(27)42)46-39(52)37-44-31-22-50(18-16-33(31)48(37)2)20-24-11-13-25(14-12-24)40(53)54/h3-8,23-25H,9-22H2,1-2H3,(H,45,51)(H,46,52)(H,53,54)/t24-,25-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468421
PNG
(US10806785, Example 65 | trans-4-((2-((2,2′-...)
Show SMILES Cn1c2CCN(CCO)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C38H44Cl2N8O5/c1-45-30-13-15-47(17-18-49)20-28(30)41-34(45)36(50)43-26-7-3-5-24(32(26)39)25-6-4-8-27(33(25)40)44-37(51)35-42-29-21-48(16-14-31(29)46(35)2)19-22-9-11-23(12-10-22)38(52)53/h3-8,22-23,49H,9-21H2,1-2H3,(H,43,50)(H,44,51)(H,52,53)/t22-,23-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468422
PNG
(US10806785, Example 66 | trans-4-((2-((2,2'-dichlo...)
Show SMILES C[C@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(C[C@H]5CC[C@@H](CC5)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C39H46Cl2N8O5/c1-22(50)18-48-16-14-31-29(20-48)42-35(46(31)2)37(51)44-27-8-4-6-25(33(27)40)26-7-5-9-28(34(26)41)45-38(52)36-43-30-21-49(17-15-32(30)47(36)3)19-23-10-12-24(13-11-23)39(53)54/h4-9,22-24,50H,10-21H2,1-3H3,(H,44,51)(H,45,52)(H,53,54)/t22-,23-,24-/m0/s1
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468427
PNG
(US10806785, Example 71 | cis-4-((2-((2,2'-dichloro...)
Show SMILES Cn1c2CCN(CC3CC3)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@H](CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C40H46Cl2N8O4/c1-47-32-15-17-49(19-23-9-10-23)21-30(32)43-36(47)38(51)45-28-7-3-5-26(34(28)41)27-6-4-8-29(35(27)42)46-39(52)37-44-31-22-50(18-16-33(31)48(37)2)20-24-11-13-25(14-12-24)40(53)54/h3-8,23-25H,9-22H2,1-2H3,(H,45,51)(H,46,52)(H,53,54)/t24-,25+
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468433
PNG
(US10806785, Example 77-1)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CC[C@H]5CC[C@H](CC5)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C38H44Cl2N8O4/c1-45-17-15-30-28(20-45)41-34(46(30)2)36(49)43-26-8-4-6-24(32(26)39)25-7-5-9-27(33(25)40)44-37(50)35-42-29-21-48(19-16-31(29)47(35)3)18-14-22-10-12-23(13-11-22)38(51)52/h4-9,22-23H,10-21H2,1-3H3,(H,43,49)(H,44,50)(H,51,52)/t22-,23+
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468456
PNG
(4-(2-((2,2'-dichloro-3'-(1- methyl-5-(tetrahydro-2...)
Show SMILES Cn1c2CCN(Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCC(C)(CC2)C(O)=O)c1Cl)C1CCOCC1
Show InChI InChI=1S/C41H48Cl2N8O5/c1-41(40(54)55)16-10-24(11-17-41)50-18-12-32-30(22-50)44-36(48(32)2)38(52)46-28-8-4-6-26(34(28)42)27-7-5-9-29(35(27)43)47-39(53)37-45-31-23-51(19-13-33(31)49(37)3)25-14-20-56-21-15-25/h4-9,24-25H,10-23H2,1-3H3,(H,46,52)(H,47,53)(H,54,55)
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468457
PNG
(4-(2-((2,2′-dichloro-3′-(1-methyl-5-(t...)
Show SMILES CCC1(CCC(CC1)N1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCc4n3C)C3CCOCC3)c1Cl)n2C)C(O)=O
Show InChI InChI=1S/C42H50Cl2N8O5/c1-4-42(41(55)56)17-11-25(12-18-42)51-19-13-33-31(23-51)45-37(49(33)2)39(53)47-29-9-5-7-27(35(29)43)28-8-6-10-30(36(28)44)48-40(54)38-46-32-24-52(20-14-34(32)50(38)3)26-15-21-57-22-16-26/h5-10,25-26H,4,11-24H2,1-3H3,(H,47,53)(H,48,54)(H,55,56)
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468471
PNG
(US10806785, Example 113 | cis-4-((2-((2′-chl...)
Show SMILES Cc1c(NC(=O)c2nc3CN(C[C@H]4CC[C@H](CC4)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CNCCc3n2C)c1Cl
Show InChI InChI=1S/C37H43ClN8O4/c1-21-24(25-7-5-9-27(32(25)38)43-36(48)33-40-28-18-39-16-14-30(28)44(33)2)6-4-8-26(21)42-35(47)34-41-29-20-46(17-15-31(29)45(34)3)19-22-10-12-23(13-11-22)37(49)50/h4-9,22-23,39H,10-20H2,1-3H3,(H,42,47)(H,43,48)(H,49,50)/t22-,23+
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468484
PNG
(US10806785, Example 123 | trans-4-((2- ((2-chloro-...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)cccc1-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C42H51ClN8O5/c1-25-29(6-4-8-31(25)46-40(52)38-45-34-24-51(19-15-36(34)49(38)3)28-16-20-56-21-17-28)30-7-5-9-32(37(30)43)47-41(53)39-44-33-23-50(18-14-35(33)48(39)2)22-26-10-12-27(13-11-26)42(54)55/h4-9,26-28H,10-24H2,1-3H3,(H,46,52)(H,47,53)(H,54,55)/t26-,27-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468488
PNG
(US10806785, Example 126 | trans-4-(2-(2-((2-chloro...)
Show SMILES Cc1c(NC(=O)c2nc3CNCCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CC[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C38H45ClN8O4/c1-22-25(6-4-8-27(22)43-36(48)34-41-29-20-40-17-14-31(29)45(34)2)26-7-5-9-28(33(26)39)44-37(49)35-42-30-21-47(19-16-32(30)46(35)3)18-15-23-10-12-24(13-11-23)38(50)51/h4-9,23-24,40H,10-21H2,1-3H3,(H,43,48)(H,44,49)(H,50,51)/t23-,24-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468490
PNG
(US10806785, Example 128 | trans-4-(2-(2- ((2-chlor...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CC4CC4)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CC[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C42H51ClN8O4/c1-25-29(6-4-8-31(25)46-40(52)38-45-34-24-51(22-27-10-11-27)21-18-36(34)49(38)3)30-7-5-9-32(37(30)43)47-41(53)39-44-33-23-50(20-17-35(33)48(39)2)19-16-26-12-14-28(15-13-26)42(54)55/h4-9,26-28H,10-24H2,1-3H3,(H,46,52)(H,47,53)(H,54,55)/t26-,28-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468517
PNG
(US10806785, Example 146-2)
Show SMILES Cn1c2CCN(CC[C@H]3CC[C@H](CC3)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCC(O)CC2)c1Cl
Show InChI InChI=1S/C43H52Cl2N8O5/c1-50-35-18-21-52(20-17-25-9-11-26(12-10-25)43(57)58)23-33(35)46-39(50)41(55)48-31-7-3-5-29(37(31)44)30-6-4-8-32(38(30)45)49-42(56)40-47-34-24-53(22-19-36(34)51(40)2)27-13-15-28(54)16-14-27/h3-8,25-28,54H,9-24H2,1-2H3,(H,48,55)(H,49,56)(H,57,58)/t25-,26+,27?,28?
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468521
PNG
(US10806785, Example 150 | trans-4-(2-(2-(2-chloro-...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(-c3cccc(NC(=O)c4nc5CN(CC[C@H]6CC[C@@H](CC6)C(O)=O)CCc5n4C)c3Cl)c1C#N)n2C
Show InChI InChI=1S/C39H44ClN9O4/c1-46-17-15-32-30(21-46)42-35(47(32)2)37(50)44-28-8-4-6-25(27(28)20-41)26-7-5-9-29(34(26)40)45-38(51)36-43-31-22-49(19-16-33(31)48(36)3)18-14-23-10-12-24(13-11-23)39(52)53/h4-9,23-24H,10-19,21-22H2,1-3H3,(H,44,50)(H,45,51)(H,52,53)/t23-,24-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468523
PNG
(US10806785, Example 152 | trans-4-(2-(2- ((2-chlor...)
Show SMILES CC(C)N1CCc2c(C1)nc(C(=O)Nc1cccc(-c3cccc(NC(=O)c4nc5CN(CC[C@H]6CC[C@@H](CC6)C(O)=O)CCc5n4C)c3Cl)c1C#N)n2C
Show InChI InChI=1S/C41H48ClN9O4/c1-24(2)51-20-17-35-33(23-51)45-37(49(35)4)39(52)46-30-9-5-7-27(29(30)21-43)28-8-6-10-31(36(28)42)47-40(53)38-44-32-22-50(19-16-34(32)48(38)3)18-15-25-11-13-26(14-12-25)41(54)55/h5-10,24-26H,11-20,22-23H2,1-4H3,(H,46,52)(H,47,53)(H,54,55)/t25-,26-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468529
PNG
(US10806785, Example 158 | trans-4-((2-(2-chloro-3&...)
Show SMILES CC(C)N(C)CC(=O)N1Cc2nc(sc2C1)-c1cccc(c1C)-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C40H48ClN7O4S/c1-23(2)45(4)22-35(49)48-20-32-34(21-48)53-39(44-32)28-9-6-8-27(24(28)3)29-10-7-11-30(36(29)41)43-38(50)37-42-31-19-47(17-16-33(31)46(37)5)18-25-12-14-26(15-13-25)40(51)52/h6-11,23,25-26H,12-22H2,1-5H3,(H,43,50)(H,51,52)/t25-,26-
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468538
PNG
(1-(2-(2-(2'- chloro-3'-(1,5- dimethyl-4,5,6,7- tet...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(-c3nc4CN(Cc4o3)C(=O)CN3CCC(CC3)C(O)=O)c1C)n2C
Show InChI InChI=1S/C35H38ClN7O5/c1-20-22(24-8-5-9-25(31(24)36)38-33(45)32-37-26-16-40(2)13-12-28(26)41(32)3)6-4-7-23(20)34-39-27-17-43(18-29(27)48-34)30(44)19-42-14-10-21(11-15-42)35(46)47/h4-9,21H,10-19H2,1-3H3,(H,38,45)(H,46,47)
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468539
PNG
(4-(2-((2-chloro-3′-(5-(dimethylglycyl)-5,6-d...)
Show SMILES CN(C)CC(=O)N1Cc2nc(oc2C1)-c1cccc(c1C)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCC(C)(CC2)C(O)=O)c1Cl
Show InChI InChI=1S/C38H44ClN7O5/c1-22-24(8-6-9-25(22)36-42-29-19-46(20-31(29)51-36)32(47)21-43(3)4)26-10-7-11-27(33(26)39)41-35(48)34-40-28-18-45(17-14-30(28)44(34)5)23-12-15-38(2,16-13-23)37(49)50/h6-11,23H,12-21H2,1-5H3,(H,41,48)(H,49,50)
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Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM468545
PNG
(4-(2-((2,2′-dichloro-3′-(5-(3-(ethyl(m...)
Show SMILES CCN(C)CCC(=O)N1Cc2nc(oc2C1)-c1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCC(C)(CC2)C(O)=O)c1Cl
Show InChI InChI=1S/C39H45Cl2N7O5/c1-5-45(3)18-15-32(49)48-21-29-31(22-48)53-37(44-29)26-10-6-8-24(33(26)40)25-9-7-11-27(34(25)41)43-36(50)35-42-28-20-47(19-14-30(28)46(35)4)23-12-16-39(2,17-13-23)38(51)52/h6-11,23H,5,12-22H2,1-4H3,(H,43,50)(H,51,52)
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n/an/a<0.100n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...


US Patent US10806785 (2020)

More data for this
Ligand-Target Pair
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