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Patent code US10618916

Compile Data Set for Download or QSAR
Found 68 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
PD-1/PD-L1


(Homo sapiens (Human))
BDBM438756
PNG
(4-(2-(2-((2,2'-dichloro-3'- (1,5-dimethyl-4,5,6,7-...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C39H44Cl2N8O4/c1-46-17-10-29-27(20-46)42-33(47(29)2)35(50)44-25-8-4-6-23(31(25)40)24-7-5-9-26(32(24)41)45-36(51)34-43-28-21-49(18-11-30(28)48(34)3)19-16-38-12-14-39(22-38,15-13-38)37(52)53/h4-9H,10-22H2,1-3H3,(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438773
PNG
((S)-4-(2-(2-((2,2'-dichloro- 3'-(5-(2-hydroxypropy...)
Show SMILES C[C@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C41H48Cl2N8O5/c1-24(52)20-51-18-11-32-30(22-51)45-36(49(32)3)38(54)47-28-9-5-7-26(34(28)43)25-6-4-8-27(33(25)42)46-37(53)35-44-29-21-50(17-10-31(29)48(35)2)19-16-40-12-14-41(23-40,15-13-40)39(55)56/h4-9,24,52H,10-23H2,1-3H3,(H,46,53)(H,47,54)(H,55,56)/t24-,40?,41?/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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438780
PNG
(4-(2-(2-((3'-(5-(3- carboxypropyl)-1-methyl- 4,5,6...)
Show SMILES Cn1c2CCN(CCCC(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C42H48Cl2N8O6/c1-49-31-11-19-51(18-5-10-33(53)54)22-29(31)45-36(49)38(55)47-27-8-3-6-25(34(27)43)26-7-4-9-28(35(26)44)48-39(56)37-46-30-23-52(20-12-32(30)50(37)2)21-17-41-13-15-42(24-41,16-14-41)40(57)58/h3-4,6-9H,5,10-24H2,1-2H3,(H,47,55)(H,48,56)(H,53,54)(H,57,58)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438787
PNG
(4-(2-(2-((2-chloro-2′-methyl-3′-(1-met...)
Show SMILES Cc1c(NC(=O)c2nc3CNCCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C39H45ClN8O4/c1-23-24(6-4-8-26(23)44-35(49)33-42-28-20-41-17-10-30(28)46(33)2)25-7-5-9-27(32(25)40)45-36(50)34-43-29-21-48(18-11-31(29)47(34)3)19-16-38-12-14-39(22-38,15-13-38)37(51)52/h4-9,41H,10-22H2,1-3H3,(H,44,49)(H,45,50)(H,51,52)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438790
PNG
(4-(2-(2-((2-chloro-2′-methyl-3′-(1-met...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C44H53ClN8O5/c1-27-29(6-4-8-31(27)48-40(54)38-47-34-25-53(20-11-36(34)51(38)3)28-12-22-58-23-13-28)30-7-5-9-32(37(30)45)49-41(55)39-46-33-24-52(19-10-35(33)50(39)2)21-18-43-14-16-44(26-43,17-15-43)42(56)57/h4-9,28H,10-26H2,1-3H3,(H,48,54)(H,49,55)(H,56,57)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438805
PNG
(4-(2-(2-((3'-(5-(1- carbamoylpiperidin-4-yl)-1- me...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCN(CC2)C(N)=O)c1Cl
Show InChI InChI=1S/C45H55ClN10O5/c1-27-29(30-7-5-9-32(37(30)46)51-41(58)39-49-34-25-56(22-13-36(34)53(39)3)28-10-20-55(21-11-28)43(47)61)6-4-8-31(27)50-40(57)38-48-33-24-54(19-12-35(33)52(38)2)23-18-44-14-16-45(26-44,17-15-44)42(59)60/h4-9,28H,10-26H2,1-3H3,(H2,47,61)(H,50,57)(H,51,58)(H,59,60)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438806
PNG
((R)-4-(2-(2-((2′-chloro-3′-(5-(2-hydro...)
Show SMILES C[C@@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1C)n2C
Show InChI InChI=1S/C42H51ClN8O5/c1-25(52)21-51-19-12-34-32(23-51)45-37(49(34)4)39(54)47-30-10-6-8-28(35(30)43)27-7-5-9-29(26(27)2)46-38(53)36-44-31-22-50(18-11-33(31)48(36)3)20-17-41-13-15-42(24-41,16-14-41)40(55)56/h5-10,25,52H,11-24H2,1-4H3,(H,46,53)(H,47,54)(H,55,56)/t25-,41?,42?/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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438814
PNG
((R)-4-(2-(2-((2-chloro-2′-cyano-3′-(5-...)
Show SMILES C[C@@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(-c3cccc(NC(=O)c4nc5CN(CCC67CCC(CC6)(C7)C(O)=O)CCc5n4C)c3Cl)c1C#N)n2C
Show InChI InChI=1S/C42H48ClN9O5/c1-25(53)21-52-18-11-34-32(23-52)46-36(50(34)3)38(54)47-29-8-4-6-26(28(29)20-44)27-7-5-9-30(35(27)43)48-39(55)37-45-31-22-51(17-10-33(31)49(37)2)19-16-41-12-14-42(24-41,15-13-41)40(56)57/h4-9,25,53H,10-19,21-24H2,1-3H3,(H,47,54)(H,48,55)(H,56,57)/t25-,41?,42?/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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438816
PNG
(4,4′-(((((2-chloro-2′-cyano-[1,1′...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1C#N
Show InChI InChI=1S/C49H56ClN9O6/c1-56-37-9-21-58(23-19-46-11-15-48(28-46,16-12-46)44(62)63)26-35(37)52-40(56)42(60)54-33-7-3-5-30(32(33)25-51)31-6-4-8-34(39(31)50)55-43(61)41-53-36-27-59(22-10-38(36)57(41)2)24-20-47-13-17-49(29-47,18-14-47)45(64)65/h3-8H,9-24,26-29H2,1-2H3,(H,54,60)(H,55,61)(H,62,63)(H,64,65)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438819
PNG
(4,4′-(((((2,2′-dimethyl-[1,1′-bi...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1C
Show InChI InChI=1S/C50H62N8O6/c1-31-33(7-5-9-35(31)53-43(59)41-51-37-27-57(23-11-39(37)55(41)3)25-21-47-13-17-49(29-47,18-14-47)45(61)62)34-8-6-10-36(32(34)2)54-44(60)42-52-38-28-58(24-12-40(38)56(42)4)26-22-48-15-19-50(30-48,20-16-48)46(63)64/h5-10H,11-30H2,1-4H3,(H,53,59)(H,54,60)(H,61,62)(H,63,64)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438826
PNG
(US10618916, Example 60 (compound 2))
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)[C@H]2CC[C@H](O)CC2)c1Cl
Show InChI InChI=1S/C44H52Cl2N8O5/c1-51-34-13-20-53(22-19-43-15-17-44(25-43,18-16-43)42(58)59)23-32(34)47-38(51)40(56)49-30-7-3-5-28(36(30)45)29-6-4-8-31(37(29)46)50-41(57)39-48-33-24-54(21-14-35(33)52(39)2)26-9-11-27(55)12-10-26/h3-8,26-27,55H,9-25H2,1-2H3,(H,49,56)(H,50,57)(H,58,59)/t26-,27-,43?,44?
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438828
PNG
(US10618916, Example 61 (compound 2))
Show SMILES Cc1c(NC(=O)c2nc3CN(CCc3n2C)[C@H]2CC[C@H](O)CC2)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C45H55ClN8O5/c1-27-30(6-4-8-32(27)49-41(56)39-48-35-25-54(22-15-37(35)52(39)3)28-10-12-29(55)13-11-28)31-7-5-9-33(38(31)46)50-42(57)40-47-34-24-53(21-14-36(34)51(40)2)23-20-44-16-18-45(26-44,19-17-44)43(58)59/h4-9,28-29,55H,10-26H2,1-3H3,(H,49,56)(H,50,57)(H,58,59)/t28-,29-,44?,45?
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438831
PNG
(4-(2-(2-((2,2′-dichloro-3′-(5-(5-(dime...)
Show SMILES CN(C)C(=O)CCCCN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C45H55Cl2N9O5/c1-52(2)36(57)13-5-6-21-55-22-14-34-32(25-55)48-39(53(34)3)41(58)50-30-11-7-9-28(37(30)46)29-10-8-12-31(38(29)47)51-42(59)40-49-33-26-56(23-15-35(33)54(40)4)24-20-44-16-18-45(27-44,19-17-44)43(60)61/h7-12H,5-6,13-27H2,1-4H3,(H,50,58)(H,51,59)(H,60,61)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438764
PNG
(4-(2-(2-((3'-(5-(1- carbamoylpiperidin-4-yl)-1- me...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCN(CC2)C(N)=O)c1Cl
Show InChI InChI=1S/C44H52Cl2N10O5/c1-52-33-11-18-54(22-17-43-13-15-44(25-43,16-14-43)41(59)60)23-31(33)48-37(52)39(57)50-29-7-3-5-27(35(29)45)28-6-4-8-30(36(28)46)51-40(58)38-49-32-24-56(21-12-34(32)53(38)2)26-9-19-55(20-10-26)42(47)61/h3-8,26H,9-25H2,1-2H3,(H2,47,61)(H,50,57)(H,51,58)(H,59,60)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438783
PNG
(4-((2-((3'-(5-(2-(4- carboxybicyclo[2.2.1] heptan-...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CC45CCC(CC4)(CC5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C48H56Cl2N8O6/c1-55-35-9-22-57(24-21-45-11-19-48(27-45,20-12-45)44(63)64)25-33(35)51-39(55)41(59)53-31-7-3-5-29(37(31)49)30-6-4-8-32(38(30)50)54-42(60)40-52-34-26-58(23-10-36(34)56(40)2)28-46-13-16-47(17-14-46,18-15-46)43(61)62/h3-8H,9-28H2,1-2H3,(H,53,59)(H,54,60)(H,61,62)(H,63,64)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438795
PNG
(4-(2-(2-((3'-(5-(1- carbamoylpiperidin-4-yl)-1- me...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCc3n2C)C2CCN(CC2)C(N)=O)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C45H55ClN10O5/c1-27-29(6-4-8-31(27)50-40(57)38-49-34-25-56(22-13-36(34)53(38)3)28-10-20-55(21-11-28)43(47)61)30-7-5-9-32(37(30)46)51-41(58)39-48-33-24-54(19-12-35(33)52(39)2)23-18-44-14-16-45(26-44,17-15-44)42(59)60/h4-9,28H,10-26H2,1-3H3,(H2,47,61)(H,50,57)(H,51,58)(H,59,60)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438796
PNG
((R)-4-(2-(2-((2-chloro-3′-(5-(2-hydroxypropy...)
Show SMILES C[C@@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C42H51ClN8O5/c1-25(52)21-51-19-12-34-32(23-51)45-36(49(34)4)38(53)46-29-9-5-7-27(26(29)2)28-8-6-10-30(35(28)43)47-39(54)37-44-31-22-50(18-11-33(31)48(37)3)20-17-41-13-15-42(24-41,16-14-41)40(55)56/h5-10,25,52H,11-24H2,1-4H3,(H,46,53)(H,47,54)(H,55,56)/t25-,41?,42?/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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438798
PNG
(4-(2-(2-((2-chloro-3'-(5-(2- hydroxyethyl)-1-methy...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCO)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C41H49ClN8O5/c1-25-26(6-4-8-28(25)45-37(52)35-44-31-23-50(20-21-51)18-11-33(31)47(35)2)27-7-5-9-29(34(27)42)46-38(53)36-43-30-22-49(17-10-32(30)48(36)3)19-16-40-12-14-41(24-40,15-13-40)39(54)55/h4-9,51H,10-24H2,1-3H3,(H,45,52)(H,46,53)(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438807
PNG
((S)-4-(2-(2-((2'-chloro-3'-(5- (2-hydroxypropyl)-1...)
Show SMILES C[C@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1C)n2C
Show InChI InChI=1S/C42H51ClN8O5/c1-25(52)21-51-19-12-34-32(23-51)45-37(49(34)4)39(54)47-30-10-6-8-28(35(30)43)27-7-5-9-29(26(27)2)46-38(53)36-44-31-22-50(18-11-33(31)48(36)3)20-17-41-13-15-42(24-41,16-14-41)40(55)56/h5-10,25,52H,11-24H2,1-4H3,(H,46,53)(H,47,54)(H,55,56)/t25-,41?,42?/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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438811
PNG
(4-(2-(2-((2-chloro-2′-cyano-3′-(1-meth...)
Show SMILES Cn1c2CCNCc2nc1C(=O)Nc1cccc(-c2cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c2Cl)c1C#N
Show InChI InChI=1S/C39H42ClN9O4/c1-47-30-9-16-42-20-28(30)43-33(47)35(50)45-26-7-3-5-23(25(26)19-41)24-6-4-8-27(32(24)40)46-36(51)34-44-29-21-49(17-10-31(29)48(34)2)18-15-38-11-13-39(22-38,14-12-38)37(52)53/h3-8,42H,9-18,20-22H2,1-2H3,(H,45,50)(H,46,51)(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438824
PNG
(4-(2-(2-((3'-(5-(2- hydroxyethyl)-1-methyl- 4,5,6,...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCO)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1C
Show InChI InChI=1S/C42H52N8O5/c1-26-28(29-8-6-10-31(27(29)2)46-39(53)37-44-33-24-50(21-22-51)19-12-35(33)48(37)4)7-5-9-30(26)45-38(52)36-43-32-23-49(18-11-34(32)47(36)3)20-17-41-13-15-42(25-41,16-14-41)40(54)55/h5-10,51H,11-25H2,1-4H3,(H,45,52)(H,46,53)(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438833
PNG
(4-(2-(2-((3′-(5-(trans-4-carboxy-4-methylcyc...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)[C@H]2CC[C@@](C)(CC2)C(O)=O)c1Cl
Show InChI InChI=1S/C46H54Cl2N8O6/c1-44(42(59)60)14-10-27(11-15-44)56-22-13-35-33(25-56)50-39(54(35)3)41(58)52-31-9-5-7-29(37(31)48)28-6-4-8-30(36(28)47)51-40(57)38-49-32-24-55(21-12-34(32)53(38)2)23-20-45-16-18-46(26-45,19-17-45)43(61)62/h4-9,27H,10-26H2,1-3H3,(H,51,57)(H,52,58)(H,59,60)(H,61,62)/t27-,44-,45?,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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438759
PNG
(4-(2-(2-((2,2'-dichloro-3'-(5- ethyl-1-methyl-4,5,...)
Show SMILES CCN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C40H46Cl2N8O4/c1-4-49-18-11-30-28(21-49)43-34(47(30)2)36(51)45-26-9-5-7-24(32(26)41)25-8-6-10-27(33(25)42)46-37(52)35-44-29-22-50(19-12-31(29)48(35)3)20-17-39-13-15-40(23-39,16-14-39)38(53)54/h5-10H,4,11-23H2,1-3H3,(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438768
PNG
(4-(2-(2-((2,2'-dichloro-3'-(5- (1,3-dihydroxypropa...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C(CO)CO)c1Cl
Show InChI InChI=1S/C41H48Cl2N8O6/c1-48-31-9-16-50(18-15-40-11-13-41(23-40,14-12-40)39(56)57)19-29(31)44-35(48)37(54)46-27-7-3-5-25(33(27)42)26-6-4-8-28(34(26)43)47-38(55)36-45-30-20-51(24(21-52)22-53)17-10-32(30)49(36)2/h3-8,24,52-53H,9-23H2,1-2H3,(H,46,54)(H,47,55)(H,56,57)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438771
PNG
((S)-4-(2-(2-((2,2'-dichloro- 3'-(5-(2,3- dihydroxy...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(C[C@H](O)CO)CCc3n2C)c1Cl
Show InChI InChI=1S/C41H48Cl2N8O6/c1-48-31-9-16-50(18-15-40-11-13-41(23-40,14-12-40)39(56)57)20-29(31)44-35(48)37(54)46-27-7-3-5-25(33(27)42)26-6-4-8-28(34(26)43)47-38(55)36-45-30-21-51(19-24(53)22-52)17-10-32(30)49(36)2/h3-8,24,52-53H,9-23H2,1-2H3,(H,46,54)(H,47,55)(H,56,57)/t24-,40?,41?/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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438799
PNG
(4,4′-(((((2-chloro-2′-methyl-[1,1̸...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C49H59ClN8O6/c1-30-31(6-4-8-33(30)53-42(59)40-51-35-26-57(22-10-37(35)55(40)2)24-20-46-12-16-48(28-46,17-13-46)44(61)62)32-7-5-9-34(39(32)50)54-43(60)41-52-36-27-58(23-11-38(36)56(41)3)25-21-47-14-18-49(29-47,19-15-47)45(63)64/h4-9H,10-29H2,1-3H3,(H,53,59)(H,54,60)(H,61,62)(H,63,64)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438804
PNG
(4-(2-(2-((2'-chloro-3'-(1,5- dimethyl-4,5,6,7-tetr...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1C)n2C
Show InChI InChI=1S/C40H47ClN8O4/c1-24-25(26-8-6-10-28(33(26)41)45-37(51)35-42-29-21-46(2)18-11-31(29)47(35)3)7-5-9-27(24)44-36(50)34-43-30-22-49(19-12-32(30)48(34)4)20-17-39-13-15-40(23-39,16-14-39)38(52)53/h5-10H,11-23H2,1-4H3,(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438809
PNG
(4-((2-((3′-(5-(2-(4-carboxybicyclo[2.2.1]hep...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C48H57ClN8O6/c1-29-30(6-4-8-32(29)52-41(58)39-50-34-24-56(21-10-36(34)54(39)2)23-20-45-12-16-47(26-45,17-13-45)43(60)61)31-7-5-9-33(38(31)49)53-42(59)40-51-35-25-57(22-11-37(35)55(40)3)28-46-14-18-48(27-46,19-15-46)44(62)63/h4-9H,10-28H2,1-3H3,(H,52,58)(H,53,59)(H,60,61)(H,62,63)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438813
PNG
(4-(2-(2-((2-chloro-2'-cyano- 3'-(1,5-dimethyl-4,5,...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(-c3cccc(NC(=O)c4nc5CN(CCC67CCC(CC6)(C7)C(O)=O)CCc5n4C)c3Cl)c1C#N)n2C
Show InChI InChI=1S/C40H44ClN9O4/c1-47-17-10-31-29(21-47)43-34(48(31)2)36(51)45-27-8-4-6-24(26(27)20-42)25-7-5-9-28(33(25)41)46-37(52)35-44-30-22-50(18-11-32(30)49(35)3)19-16-39-12-14-40(23-39,15-13-39)38(53)54/h4-9H,10-19,21-23H2,1-3H3,(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438821
PNG
(4-(2-(2-((2,2'-dimethyl-3'- (1-methyl-5-(tetrahydr...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)c1C
Show InChI InChI=1S/C45H56N8O5/c1-28-31(32-8-6-10-34(29(32)2)49-42(55)40-47-36-26-53(21-12-38(36)51(40)4)30-13-23-58-24-14-30)7-5-9-33(28)48-41(54)39-46-35-25-52(20-11-37(35)50(39)3)22-19-44-15-17-45(27-44,18-16-44)43(56)57/h5-10,30H,11-27H2,1-4H3,(H,48,54)(H,49,55)(H,56,57)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438774
PNG
(4-(2-(2-((2,2'-dichloro-3'-(5- (2-hydroxyethyl)-1-...)
Show SMILES Cn1c2CCN(CCO)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C40H46Cl2N8O5/c1-47-30-9-16-49(18-15-39-11-13-40(23-39,14-12-39)38(54)55)21-28(30)43-34(47)36(52)45-26-7-3-5-24(32(26)41)25-6-4-8-27(33(25)42)46-37(53)35-44-29-22-50(19-20-51)17-10-31(29)48(35)2/h3-8,51H,9-23H2,1-2H3,(H,45,52)(H,46,53)(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438777
PNG
(4-((2-((3'-(5-(2-(4- carboxybicyclo[2.2.1] heptan-...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C47H54Cl2N8O6/c1-54-34-9-20-56(22-19-44-11-15-46(25-44,16-12-44)42(60)61)23-32(34)50-38(54)40(58)52-30-7-3-5-28(36(30)48)29-6-4-8-31(37(29)49)53-41(59)39-51-33-24-57(21-10-35(33)55(39)2)27-45-13-17-47(26-45,18-14-45)43(62)63/h3-8H,9-27H2,1-2H3,(H,52,58)(H,53,59)(H,60,61)(H,62,63)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438785
PNG
(4-(2-(2-((3'-(5-(4- carboxyphenethyl)-1- methyl-4,...)
Show SMILES Cn1c2CCN(CCc3ccc(cc3)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C47H50Cl2N8O6/c1-54-36-14-22-56(21-13-28-9-11-29(12-10-28)44(60)61)25-34(36)50-40(54)42(58)52-32-7-3-5-30(38(32)48)31-6-4-8-33(39(31)49)53-43(59)41-51-35-26-57(23-15-37(35)55(41)2)24-20-46-16-18-47(27-46,19-17-46)45(62)63/h3-12H,13-27H2,1-2H3,(H,52,58)(H,53,59)(H,60,61)(H,62,63)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438754
PNG
(4-(2-(2-((2,2′-dichloro-3′-(1-methyl-5...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)c1Cl
Show InChI InChI=1S/C43H50Cl2N8O5/c1-50-33-9-18-52(20-17-42-13-15-43(25-42,16-14-42)41(56)57)23-31(33)46-37(50)39(54)48-29-7-3-5-27(35(29)44)28-6-4-8-30(36(28)45)49-40(55)38-47-32-24-53(19-10-34(32)51(38)2)26-11-21-58-22-12-26/h3-8,26H,9-25H2,1-2H3,(H,48,54)(H,49,55)(H,56,57)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438762
PNG
(4-(2-(2-((2,2'-dichloro-3'-(5- isopropyl-1-methyl-...)
Show SMILES CC(C)N1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C41H48Cl2N8O4/c1-24(2)51-19-12-32-30(22-51)45-36(49(32)4)38(53)47-28-10-6-8-26(34(28)43)25-7-5-9-27(33(25)42)46-37(52)35-44-29-21-50(18-11-31(29)48(35)3)20-17-40-13-15-41(23-40,16-14-40)39(54)55/h5-10,24H,11-23H2,1-4H3,(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438763
PNG
(4-(2-(2-((2,2'-dichloro-3'-(5- cyclobutyl-1-methyl...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCC2)c1Cl
Show InChI InChI=1S/C42H48Cl2N8O4/c1-49-32-12-19-51(21-18-41-14-16-42(24-41,17-15-41)40(55)56)22-30(32)45-36(49)38(53)47-28-10-4-8-26(34(28)43)27-9-5-11-29(35(27)44)48-39(54)37-46-31-23-52(25-6-3-7-25)20-13-33(31)50(37)2/h4-5,8-11,25H,3,6-7,12-24H2,1-2H3,(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438766
PNG
(4-(2-(2-((2,2'-dichloro-3'-(1- methyl-5-(1- sulfam...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCN(CC2)S(N)(=O)=O)c1Cl
Show InChI InChI=1S/C43H52Cl2N10O6S/c1-51-33-11-18-53(22-17-42-13-15-43(25-42,16-14-42)41(58)59)23-31(33)47-37(51)39(56)49-29-7-3-5-27(35(29)44)28-6-4-8-30(36(28)45)50-40(57)38-48-32-24-54(19-12-34(32)52(38)2)26-9-20-55(21-10-26)62(46,60)61/h3-8,26H,9-25H2,1-2H3,(H,49,56)(H,50,57)(H,58,59)(H2,46,60,61)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438775
PNG
(4-(2-(2-((2,2'-dichloro-3'-(5- (3-hydroxypropyl)-1...)
Show SMILES Cn1c2CCN(CCCO)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C41H48Cl2N8O5/c1-48-31-10-18-50(17-5-21-52)22-29(31)44-35(48)37(53)46-27-8-3-6-25(33(27)42)26-7-4-9-28(34(26)43)47-38(54)36-45-30-23-51(19-11-32(30)49(36)2)20-16-40-12-14-41(24-40,15-13-40)39(55)56/h3-4,6-9,52H,5,10-24H2,1-2H3,(H,46,53)(H,47,54)(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438782
PNG
(4-(2-(2-((3'-(5-((1- carboxycyclopropyl)methyl)- 1...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CC4(CC4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C43H48Cl2N8O6/c1-50-31-9-18-52(20-17-41-11-13-42(23-41,14-12-41)39(56)57)21-29(31)46-35(50)37(54)48-27-7-3-5-25(33(27)44)26-6-4-8-28(34(26)45)49-38(55)36-47-30-22-53(19-10-32(30)51(36)2)24-43(15-16-43)40(58)59/h3-8H,9-24H2,1-2H3,(H,48,54)(H,49,55)(H,56,57)(H,58,59)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438800
PNG
(4-((2-((3'-(5-(2-(4- carboxybicyclo[2.2.1]heptan- ...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CC45CCC(CC4)(C5)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C48H57ClN8O6/c1-29-30(6-4-8-32(29)52-41(58)39-51-35-25-57(22-11-37(35)55(39)3)28-46-14-18-48(27-46,19-15-46)44(62)63)31-7-5-9-33(38(31)49)53-42(59)40-50-34-24-56(21-10-36(34)54(40)2)23-20-45-12-16-47(26-45,17-13-45)43(60)61/h4-9H,10-28H2,1-3H3,(H,52,58)(H,53,59)(H,60,61)(H,62,63)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438801
PNG
(4-(2-(2-((3'-(5-(4- carboxyphenethyl)-1- methyl-4,...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCc4ccc(cc4)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C48H53ClN8O6/c1-29-32(6-4-8-34(29)52-43(58)41-50-36-26-56(23-15-38(36)54(41)2)22-14-30-10-12-31(13-11-30)45(60)61)33-7-5-9-35(40(33)49)53-44(59)42-51-37-27-57(24-16-39(37)55(42)3)25-21-47-17-19-48(28-47,20-18-47)46(62)63/h4-13H,14-28H2,1-3H3,(H,52,58)(H,53,59)(H,60,61)(H,62,63)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438803
PNG
(4-(2-(2-((2′-chloro-2-methyl-3′-(1-met...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)c1Cl
Show InChI InChI=1S/C44H53ClN8O5/c1-27-29(30-7-5-9-32(37(30)45)49-41(55)39-47-34-25-53(20-11-36(34)51(39)3)28-12-22-58-23-13-28)6-4-8-31(27)48-40(54)38-46-33-24-52(19-10-35(33)50(38)2)21-18-43-14-16-44(26-43,17-15-43)42(56)57/h4-9,28H,10-26H2,1-3H3,(H,48,54)(H,49,55)(H,56,57)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438817
PNG
(4-((2-((3'-(5-(2-(4- carboxybicyclo[2.2.1] heptan-...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1C#N
Show InChI InChI=1S/C48H54ClN9O6/c1-55-36-9-20-57(22-19-45-11-15-47(26-45,16-12-45)43(61)62)24-34(36)51-40(55)42(60)54-33-8-4-6-30(38(33)49)29-5-3-7-32(31(29)23-50)53-41(59)39-52-35-25-58(21-10-37(35)56(39)2)28-46-13-17-48(27-46,18-14-46)44(63)64/h3-8H,9-22,24-28H2,1-2H3,(H,53,59)(H,54,60)(H,61,62)(H,63,64)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438820
PNG
(4-((2-((3'-(5-(2-(4- carboxybicyclo[2.2.1] heptan-...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1C
Show InChI InChI=1S/C49H60N8O6/c1-30-32(7-5-9-34(30)52-42(58)40-50-36-25-56(22-11-38(36)54(40)3)24-21-46-13-17-48(27-46,18-14-46)44(60)61)33-8-6-10-35(31(33)2)53-43(59)41-51-37-26-57(23-12-39(37)55(41)4)29-47-15-19-49(28-47,20-16-47)45(62)63/h5-10H,11-29H2,1-4H3,(H,52,58)(H,53,59)(H,60,61)(H,62,63)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438751
PNG
(4-(2-(2-((2,2′-dichloro-3′-(1-methyl-4...)
Show SMILES Cn1c2CCNCc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C38H42Cl2N8O4/c1-46-28-9-16-41-19-26(28)42-32(46)34(49)44-24-7-3-5-22(30(24)39)23-6-4-8-25(31(23)40)45-35(50)33-43-27-20-48(17-10-29(27)47(33)2)18-15-37-11-13-38(21-37,14-12-37)36(51)52/h3-8,41H,9-21H2,1-2H3,(H,44,49)(H,45,50)(H,51,52)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438767
PNG
(4-(2-(2-((3'-(5-((1H- pyrazol-3-yl)methyl)-1- meth...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(Cc4cc[nH]n4)CCc3n2C)c1Cl
Show InChI InChI=1S/C42H46Cl2N10O4/c1-51-32-10-18-53(20-16-41-12-14-42(24-41,15-13-41)40(57)58)22-30(32)46-36(51)38(55)48-28-7-3-5-26(34(28)43)27-6-4-8-29(35(27)44)49-39(56)37-47-31-23-54(19-11-33(31)52(37)2)21-25-9-17-45-50-25/h3-9,17H,10-16,18-24H2,1-2H3,(H,45,50)(H,48,55)(H,49,56)(H,57,58)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438778
PNG
(4-(2-(2-((3'-(5- (carboxymethyl)-1-methyl- 4,5,6,7...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CC(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C40H44Cl2N8O6/c1-47-29-9-16-49(18-15-39-11-13-40(22-39,14-12-39)38(55)56)19-27(29)43-34(47)36(53)45-25-7-3-5-23(32(25)41)24-6-4-8-26(33(24)42)46-37(54)35-44-28-20-50(21-31(51)52)17-10-30(28)48(35)2/h3-8H,9-22H2,1-2H3,(H,45,53)(H,46,54)(H,51,52)(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438781
PNG
(4-(2-(2-((3'-(5-(2-carboxy- 2-methylpropyl)-1-meth...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CC(C)(C)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C43H50Cl2N8O6/c1-41(2,39(56)57)24-53-19-12-32-30(22-53)47-36(51(32)4)38(55)49-28-10-6-8-26(34(28)45)25-7-5-9-27(33(25)44)48-37(54)35-46-29-21-52(18-11-31(29)50(35)3)20-17-42-13-15-43(23-42,16-14-42)40(58)59/h5-10H,11-24H2,1-4H3,(H,48,54)(H,49,55)(H,56,57)(H,58,59)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438797
PNG
((S)-4-(2-(2-((2-chloro-3'-(5- (2-hydroxypropyl)-1-...)
Show SMILES C[C@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C42H51ClN8O5/c1-25(52)21-51-19-12-34-32(23-51)45-36(49(34)4)38(53)46-29-9-5-7-27(26(29)2)28-8-6-10-30(35(28)43)47-39(54)37-44-31-22-50(18-11-33(31)48(37)3)20-17-41-13-15-42(24-41,16-14-41)40(55)56/h5-10,25,52H,11-24H2,1-4H3,(H,46,53)(H,47,54)(H,55,56)/t25-,41?,42?/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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438784
PNG
(3-((2-((3'-(5-(2-(4- carboxybicyclo[2.2.1] heptan-...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CC45CC(C4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C45H50Cl2N8O6/c1-52-32-9-16-54(18-15-42-11-13-44(21-42,14-12-42)40(58)59)19-30(32)48-36(52)38(56)50-28-7-3-5-26(34(28)46)27-6-4-8-29(35(27)47)51-39(57)37-49-31-20-55(17-10-33(31)53(37)2)25-43-22-45(23-43,24-43)41(60)61/h3-8H,9-25H2,1-2H3,(H,50,56)(H,51,57)(H,58,59)(H,60,61)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438791
PNG
(4-(2-(2-((2-chloro-3'-(1,5- dimethyl-4,5,6,7-tetra...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C40H47ClN8O4/c1-24-25(7-5-9-27(24)44-36(50)34-42-29-21-46(2)18-11-31(29)47(34)3)26-8-6-10-28(33(26)41)45-37(51)35-43-30-22-49(19-12-32(30)48(35)4)20-17-39-13-15-40(23-39,16-14-39)38(52)53/h5-10H,11-23H2,1-4H3,(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438812
PNG
(4-(2-(2-((2-chloro-2′-cyano-3′-(1-meth...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)c1C#N
Show InChI InChI=1S/C44H50ClN9O5/c1-51-35-9-18-53(20-17-43-13-15-44(26-43,16-14-43)42(57)58)24-33(35)47-39(51)41(56)50-32-8-4-6-29(37(32)45)28-5-3-7-31(30(28)23-46)49-40(55)38-48-34-25-54(19-10-36(34)52(38)2)27-11-21-59-22-12-27/h3-8,27H,9-22,24-26H2,1-2H3,(H,49,55)(H,50,56)(H,57,58)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438815
PNG
(4-(2-(2-((2-chloro-2'-cyano- 3'-(5-(2-hydroxyethyl...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCO)CCc3n2C)c1C#N
Show InChI InChI=1S/C41H46ClN9O5/c1-48-33-10-17-51(19-20-52)23-31(33)45-35(48)37(53)46-28-7-3-5-25(27(28)21-43)26-6-4-8-29(34(26)42)47-38(54)36-44-30-22-50(16-9-32(30)49(36)2)18-15-40-11-13-41(24-40,14-12-40)39(55)56/h3-8,52H,9-20,22-24H2,1-2H3,(H,46,53)(H,47,54)(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438818
PNG
(4-(2-(2-((2,2′-dimethyl-3′-(1-methyl-4...)
Show SMILES Cc1c(NC(=O)c2nc3CNCCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1C
Show InChI InChI=1S/C40H48N8O4/c1-24-26(7-5-9-28(24)44-36(49)34-42-30-21-41-18-11-32(30)46(34)3)27-8-6-10-29(25(27)2)45-37(50)35-43-31-22-48(19-12-33(31)47(35)4)20-17-39-13-15-40(23-39,16-14-39)38(51)52/h5-10,41H,11-23H2,1-4H3,(H,44,49)(H,45,50)(H,51,52)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438822
PNG
((R)-4-(2-(2-((3′-(5-(2-hydroxypropyl)-1-meth...)
Show SMILES C[C@@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1C)n2C
Show InChI InChI=1S/C43H54N8O5/c1-26(52)22-51-20-13-36-34(24-51)45-38(49(36)5)40(54)47-32-11-7-9-30(28(32)3)29-8-6-10-31(27(29)2)46-39(53)37-44-33-23-50(19-12-35(33)48(37)4)21-18-42-14-16-43(25-42,17-15-42)41(55)56/h6-11,26,52H,12-25H2,1-5H3,(H,46,53)(H,47,54)(H,55,56)/t26-,42?,43?/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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438823
PNG
((S)-4-(2-(2-((3'-(5-(2- hydroxypropyl)-1-methyl- 4...)
Show SMILES C[C@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1C)n2C
Show InChI InChI=1S/C43H54N8O5/c1-26(52)22-51-20-13-36-34(24-51)45-38(49(36)5)40(54)47-32-11-7-9-30(28(32)3)29-8-6-10-31(27(29)2)46-39(53)37-44-33-23-50(19-12-35(33)48(37)4)21-18-42-14-16-43(25-42,17-15-42)41(55)56/h6-11,26,52H,12-25H2,1-5H3,(H,46,53)(H,47,54)(H,55,56)/t26-,42?,43?/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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438827
PNG
(US10618916, Example 61-(compound-1))
Show SMILES Cc1c(NC(=O)c2nc3CN(CCc3n2C)C2CCC(O)CC2)cccc1-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C45H55ClN8O5/c1-27-30(6-4-8-32(27)49-41(56)39-48-35-25-54(22-15-37(35)52(39)3)28-10-12-29(55)13-11-28)31-7-5-9-33(38(31)46)50-42(57)40-47-34-24-53(21-14-36(34)51(40)2)23-20-44-16-18-45(26-44,19-17-44)43(58)59/h4-9,28-29,55H,10-26H2,1-3H3,(H,49,56)(H,50,57)(H,58,59)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438830
PNG
(4-(2-(2-((3′-(5-(4-carboxybutyl)-1-methyl-4,...)
Show SMILES Cn1c2CCN(CCCCC(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C43H50Cl2N8O6/c1-50-32-12-20-52(19-4-3-11-34(54)55)23-30(32)46-37(50)39(56)48-28-9-5-7-26(35(28)44)27-8-6-10-29(36(27)45)49-40(57)38-47-31-24-53(21-13-33(31)51(38)2)22-18-42-14-16-43(25-42,17-15-42)41(58)59/h5-10H,3-4,11-25H2,1-2H3,(H,48,56)(H,49,57)(H,54,55)(H,58,59)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438772
PNG
((R)-4-(2-(2-((2,2′-dichloro-3′-(5-(2-h...)
Show SMILES C[C@@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCC56CCC(CC5)(C6)C(O)=O)CCc4n3C)c1Cl)n2C
Show InChI InChI=1S/C41H48Cl2N8O5/c1-24(52)20-51-18-11-32-30(22-51)45-36(49(32)3)38(54)47-28-9-5-7-26(34(28)43)25-6-4-8-27(33(25)42)46-37(53)35-44-29-21-50(17-10-31(29)48(35)2)19-16-40-12-14-41(23-40,15-13-40)39(55)56/h4-9,24,52H,10-23H2,1-3H3,(H,46,53)(H,47,54)(H,55,56)/t24-,40?,41?/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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438776
PNG
(4,4′-(((((2,2′-dichloro-[1,1′-bi...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C48H56Cl2N8O6/c1-55-35-9-21-57(23-19-45-11-15-47(27-45,16-12-45)43(61)62)25-33(35)51-39(55)41(59)53-31-7-3-5-29(37(31)49)30-6-4-8-32(38(30)50)54-42(60)40-52-34-26-58(22-10-36(34)56(40)2)24-20-46-13-17-48(28-46,18-14-46)44(63)64/h3-8H,9-28H2,1-2H3,(H,53,59)(H,54,60)(H,61,62)(H,63,64)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438786
PNG
(5-((2-((3'-(5-(2-(4- carboxybicyclo[2.2.1] heptan-...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(Cc4cc(n[nH]4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C43H46Cl2N10O6/c1-52-32-9-16-54(18-15-42-11-13-43(23-42,14-12-42)41(60)61)21-30(32)46-36(52)38(56)48-27-7-3-5-25(34(27)44)26-6-4-8-28(35(26)45)49-39(57)37-47-31-22-55(17-10-33(31)53(37)2)20-24-19-29(40(58)59)51-50-24/h3-8,19H,9-18,20-23H2,1-2H3,(H,48,56)(H,49,57)(H,50,51)(H,58,59)(H,60,61)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438802
PNG
(4-(2-(2-((2′-chloro-2-methyl-3′-(1-met...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CNCCc3n2C)c1Cl
Show InChI InChI=1S/C39H45ClN8O4/c1-23-24(25-7-5-9-27(32(25)40)45-36(50)33-42-28-20-41-17-10-30(28)46(33)2)6-4-8-26(23)44-35(49)34-43-29-21-48(18-11-31(29)47(34)3)19-16-38-12-14-39(22-38,15-13-38)37(51)52/h4-9,41H,10-22H2,1-3H3,(H,44,49)(H,45,50)(H,51,52)
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438808
PNG
(4-(2-(2-((2'-chloro-3'-(5-(2- hydroxyethyl)-1-meth...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCO)CCc3n2C)c1Cl
Show InChI InChI=1S/C41H49ClN8O5/c1-25-26(27-7-5-9-29(34(27)42)46-38(53)36-44-31-23-50(20-21-51)18-11-33(31)48(36)3)6-4-8-28(25)45-37(52)35-43-30-22-49(17-10-32(30)47(35)2)19-16-40-12-14-41(24-40,15-13-40)39(54)55/h4-9,51H,10-24H2,1-3H3,(H,45,52)(H,46,53)(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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438825
PNG
(US10618916, Example 60 (compound 1))
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)[C@@H]2CC[C@H](O)CC2)c1Cl
Show InChI InChI=1S/C44H52Cl2N8O5/c1-51-34-13-20-53(22-19-43-15-17-44(25-43,18-16-43)42(58)59)23-32(34)47-38(51)40(56)49-30-7-3-5-28(36(30)45)29-6-4-8-31(37(29)46)50-41(57)39-48-33-24-54(21-14-35(33)52(39)2)26-9-11-27(55)12-10-26/h3-8,26-27,55H,9-25H2,1-2H3,(H,49,56)(H,50,57)(H,58,59)/t26-,27+,43?,44?
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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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438829
PNG
(4-(2-(2-((3′-(5-(2-(trans-4-carboxycyclohexy...)
Show SMILES Cn1c2CCN(CC[C@H]3CC[C@@H](CC3)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C47H56Cl2N8O6/c1-54-36-14-22-56(21-13-28-9-11-29(12-10-28)44(60)61)25-34(36)50-40(54)42(58)52-32-7-3-5-30(38(32)48)31-6-4-8-33(39(31)49)53-43(59)41-51-35-26-57(23-15-37(35)55(41)2)24-20-46-16-18-47(27-46,19-17-46)45(62)63/h3-8,28-29H,9-27H2,1-2H3,(H,52,58)(H,53,59)(H,60,61)(H,62,63)/t28-,29-,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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438832
PNG
(4-(2-(2-((3′-(5-(cis-4-carboxy-4-methylcyclo...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)[C@H]2CC[C@](C)(CC2)C(O)=O)c1Cl
Show InChI InChI=1S/C46H54Cl2N8O6/c1-44(42(59)60)14-10-27(11-15-44)56-22-13-35-33(25-56)50-39(54(35)3)41(58)52-31-9-5-7-29(37(31)48)28-6-4-8-30(36(28)47)51-40(57)38-49-32-24-55(21-12-34(32)53(38)2)23-20-45-16-18-46(26-45,19-17-45)43(61)62/h4-9,27H,10-26H2,1-3H3,(H,51,57)(H,52,58)(H,59,60)(H,61,62)/t27-,44+,45?,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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438770
PNG
((R)-4-(2-(2-((2,2'-dichloro- 3'-(5-(2,3- dihydroxy...)
Show SMILES Cn1c2CCN(CCC34CCC(CC3)(C4)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(C[C@@H](O)CO)CCc3n2C)c1Cl
Show InChI InChI=1S/C41H48Cl2N8O6/c1-48-31-9-16-50(18-15-40-11-13-41(23-40,14-12-40)39(56)57)20-29(31)44-35(48)37(54)46-27-7-3-5-25(33(27)42)26-6-4-8-28(34(26)43)47-38(55)36-45-30-21-51(19-24(53)22-52)17-10-32(30)49(36)2/h3-8,24,52-53H,9-23H2,1-2H3,(H,46,54)(H,47,55)(H,56,57)/t24-,40?,41?/m1/s1
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n/an/a 7.5n/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 US10618916 (2020)

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


(Homo sapiens (Human))
BDBM438810
PNG
(4-(2-(2-((3'-(5-(4- carboxyphenethyl)-1- methyl-4,...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CN(CCc4ccc(cc4)C(O)=O)CCc3n2C)c1Cl
Show InChI InChI=1S/C48H53ClN8O6/c1-29-32(6-4-8-34(29)52-43(58)41-51-37-27-57(24-16-39(37)54(41)2)25-21-47-17-19-48(28-47,20-18-47)46(62)63)33-7-5-9-35(40(33)49)53-44(59)42-50-36-26-56(23-15-38(36)55(42)3)22-14-30-10-12-31(13-11-30)45(60)61/h4-13H,14-28H2,1-3H3,(H,52,58)(H,53,59)(H,60,61)(H,62,63)
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n/an/a 7.5n/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 US10618916 (2020)

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