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Patent code US10710986

Compile Data Set for Download or QSAR

Found 657 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
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452513
PNG
(US10710986, Example 654 | US11555029, No. 654)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CN2CC(C(O)=O)C3(CCOC3)C2)c(OC)n1 |r|
Show InChI InChI=1S/C39H42Cl2N6O6/c1-22-14-30(45-36(51-2)28(22)18-47-19-29(38(49)50)39(20-47)12-13-53-21-39)26-8-4-6-24(34(26)40)25-7-5-9-27(35(25)41)31-17-43-32(37(46-31)52-3)16-42-15-23-10-11-33(48)44-23/h4-9,14,17,23,29,42H,10-13,15-16,18-21H2,1-3H3,(H,44,48)(H,49,50)/t23-,29?,39?/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452516
PNG
(US10710986, Example 657 | US11555029, No. 657)
Show SMILES COc1nc(cnc1CN1CC(C1)OCC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)OCC(N)=O)c(OC)n1
Show InChI InChI=1S/C34H36Cl2N8O6/c1-47-33-27(15-43-11-19(12-43)49-17-29(37)45)39-9-25(41-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-10-40-28(34(42-26)48-2)16-44-13-20(14-44)50-18-30(38)46/h3-10,19-20H,11-18H2,1-2H3,(H2,37,45)(H2,38,46)
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452519
PNG
(US10710986, Example 660 | US11555029, No. 660)
Show SMILES COc1nc(cnc1CNCC1CCNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CCNC(=O)C2)c(OC)n1
Show InChI InChI=1S/C36H40Cl2N8O4/c1-49-35-29(17-39-15-21-9-11-41-31(47)13-21)43-19-27(45-35)25-7-3-5-23(33(25)37)24-6-4-8-26(34(24)38)28-20-44-30(36(46-28)50-2)18-40-16-22-10-12-42-32(48)14-22/h3-8,19-22,39-40H,9-18H2,1-2H3,(H,41,47)(H,42,48)
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452520
PNG
(US10710986, Example 661 | US11555029, No. 661)
Show SMILES COc1nc(cnc1CNCC1CCNC1=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2CCNC2=O)c(OC)n1
Show InChI InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-39-31(19)45)41-17-25(43-33)23-7-3-5-21(29(23)35)22-6-4-8-24(30(22)36)26-18-42-28(34(44-26)48-2)16-38-14-20-10-12-40-32(20)46/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,39,45)(H,40,46)
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451864
PNG
(US10710986, Example 3 | US11555029, No. 3)
Show SMILES COC1CN(Cc2ncc(nc2OC)-c2cccc(c2F)-c2cccc(c2Cl)-c2cnc(CN3CC(C3)OC)c(OC)n2)C1
Show InChI InChI=1S/C32H34ClFN6O4/c1-41-19-13-39(14-19)17-27-31(43-3)37-25(11-35-27)23-9-5-7-21(29(23)33)22-8-6-10-24(30(22)34)26-12-36-28(32(38-26)44-4)18-40-15-20(16-40)42-2/h5-12,19-20H,13-18H2,1-4H3
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451903
PNG
(US10710986, Example 42 | US11555029, No. 42)
Show SMILES COc1nc(cnc1CNCCS(O)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C31H33Cl2N7O6S/c1-45-30-25(14-34-11-12-47(42,43)44)36-16-23(39-30)21-7-3-5-19(28(21)32)20-6-4-8-22(29(20)33)24-17-37-26(31(40-24)46-2)15-35-13-18-9-10-27(41)38-18/h3-8,16-18,34-35H,9-15H2,1-2H3,(H,38,41)(H,42,43,44)/t18-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451918
PNG
(US10710986, Example 57 | US11555029, No. 57)
Show SMILES CNc1nc(cnc1CNC[C@H]1C[C@H](O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@H]2C[C@H](O)C2)c(NC)n1 |r,wU:11.11,37.40,wD:39.43,13.14,(-4.67,-5,;-6,-4.23,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-7.34,-.38,;-7.34,-1.93,;-8.67,-2.69,;-10,-1.93,;-11.34,-2.69,;-12.67,-1.93,;-14.16,-2.32,;-14.56,-.84,;-15.89,-.07,;-13.07,-.44,;-3.33,.38,;-3.33,1.93,;-2,2.69,;-.67,1.93,;-.67,.38,;-2,-.38,;-2,-1.93,;.67,-.38,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;2,1.93,;4.67,.38,;6,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;10,1.93,;11.34,2.69,;12.67,1.93,;14.16,2.32,;14.56,.84,;15.89,.07,;13.07,.44,;6,2.69,;6,4.23,;4.67,5,;4.67,1.93,)|
Show InChI InChI=1S/C34H40Cl2N8O2/c1-37-33-29(15-39-13-19-9-21(45)10-19)41-17-27(43-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-18-42-30(34(38-2)44-28)16-40-14-20-11-22(46)12-20/h3-8,17-22,39-40,45-46H,9-16H2,1-2H3,(H,37,43)(H,38,44)/t19-,20-,21-,22-
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451920
PNG
(US10710986, Example 59 | US11555029, No. 59)
Show SMILES CNc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1
Show InChI InChI=1S/C38H41Cl2N9O3/c1-23(50)48-19-37(20-48)15-46(16-37)13-31-35(41-3)44-29(11-42-31)27-9-5-7-25(33(27)39)26-8-6-10-28(34(26)40)30-12-43-32(36(45-30)52-4)14-47-17-38(18-47)21-49(22-38)24(2)51/h5-12H,13-22H2,1-4H3,(H,41,44)
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451923
PNG
(US10710986, Example 62 | US11555029, No. 62)
Show SMILES CNc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1
Show InChI InChI=1S/C36H37Cl2N9O3/c1-39-33-27(15-46-17-35(18-46)11-9-29(48)44-35)40-13-25(42-33)23-7-3-5-21(31(23)37)22-6-4-8-24(32(22)38)26-14-41-28(34(43-26)50-2)16-47-19-36(20-47)12-10-30(49)45-36/h3-8,13-14H,9-12,15-20H2,1-2H3,(H,39,42)(H,44,48)(H,45,49)
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451929
PNG
(US10710986, Example 69 | US11555029, No. 69)
Show SMILES CNc1nc(cnc1CN1CC(F)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(F)C2)c(NC)n1
Show InChI InChI=1S/C30H30Cl2F2N8/c1-35-29-25(15-41-11-17(33)12-41)37-9-23(39-29)21-7-3-5-19(27(21)31)20-6-4-8-22(28(20)32)24-10-38-26(30(36-2)40-24)16-42-13-18(34)14-42/h3-10,17-18H,11-16H2,1-2H3,(H,35,39)(H,36,40)
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451937
PNG
(US10710986, Example 77 | US11555029, No. 77)
Show SMILES CNc1nc(cnc1CN1CC(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(O)C2)c(NC)n1
Show InChI InChI=1S/C30H32Cl2N8O2/c1-33-29-25(15-39-11-17(41)12-39)35-9-23(37-29)21-7-3-5-19(27(21)31)20-6-4-8-22(28(20)32)24-10-36-26(30(34-2)38-24)16-40-13-18(42)14-40/h3-10,17-18,41-42H,11-16H2,1-2H3,(H,33,37)(H,34,38)
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451947
PNG
(US10710986, Example 87 | US11555029, No. 87)
Show SMILES COC1CN(Cc2ncc(nc2SC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CN3CC(C3)OC)c(SC)n2)C1
Show InChI InChI=1S/C32H34Cl2N6O2S2/c1-41-19-13-39(14-19)17-27-31(43-3)37-25(11-35-27)23-9-5-7-21(29(23)33)22-8-6-10-24(30(22)34)26-12-36-28(32(38-26)44-4)18-40-15-20(16-40)42-2/h5-12,19-20H,13-18H2,1-4H3
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451958
PNG
(US10710986, Example 98 | US11555029, No. 98)
Show SMILES COC1CN(Cc2ncc(nc2Cl)-c2cccc(c2Cl)-c2cccc(-c3cnc(CN4CC(C4)OC)c(n3)N(C)C)c2Cl)C1
Show InChI InChI=1S/C32H34Cl3N7O2/c1-40(2)32-28(18-42-15-20(16-42)44-4)37-12-26(39-32)24-10-6-8-22(30(24)34)21-7-5-9-23(29(21)33)25-11-36-27(31(35)38-25)17-41-13-19(14-41)43-3/h5-12,19-20H,13-18H2,1-4H3
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451960
PNG
(US10710986, Example 100 | US11555029, No. 100)
Show SMILES CN(C)c1nc(cnc1CN1CC(O)C1)-c1cccc(c1Cl)-c1cccc(-c2cnc(CN3CC(O)C3)c(Cl)n2)c1Cl
Show InChI InChI=1S/C30H30Cl3N7O2/c1-38(2)30-26(16-40-13-18(42)14-40)35-10-24(37-30)22-8-4-6-20(28(22)32)19-5-3-7-21(27(19)31)23-9-34-25(29(33)36-23)15-39-11-17(41)12-39/h3-10,17-18,41-42H,11-16H2,1-2H3
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451983
PNG
(US10710986, Example 123 | US11555029, No. 123)
Show SMILES COc1cc(ccc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1
Show InChI InChI=1S/C38H38Cl2N6O4/c1-49-31-11-23(9-10-24(31)15-45-19-37(20-45)12-32(47)42-17-37)25-5-3-6-26(34(25)39)27-7-4-8-28(35(27)40)29-14-41-30(36(44-29)50-2)16-46-21-38(22-46)13-33(48)43-18-38/h3-11,14H,12-13,15-22H2,1-2H3,(H,42,47)(H,43,48)
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451984
PNG
(US10710986, Example 124 | US11555029, No. 124)
Show SMILES COc1cc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CCC(=O)N3)c(OC)n1
Show InChI InChI=1S/C38H38Cl2N6O4/c1-49-31-15-23(9-10-24(31)17-45-19-37(20-45)13-11-32(47)43-37)25-5-3-6-26(34(25)39)27-7-4-8-28(35(27)40)29-16-41-30(36(42-29)50-2)18-46-21-38(22-46)14-12-33(48)44-38/h3-10,15-16H,11-14,17-22H2,1-2H3,(H,43,47)(H,44,48)
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM451993
PNG
(US10710986, Example 133 | US11555029, No. 133)
Show SMILES COc1nc(cnc1C1=NC[C@H](CO)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@H](CO)N2)c(OC)n1 |r,t:9,37|
Show InChI InChI=1S/C30H28Cl2N8O4/c1-43-29-25(27-35-9-15(13-41)37-27)33-11-21(39-29)19-7-3-5-17(23(19)31)18-6-4-8-20(24(18)32)22-12-34-26(30(40-22)44-2)28-36-10-16(14-42)38-28/h3-8,11-12,15-16,41-42H,9-10,13-14H2,1-2H3,(H,35,37)(H,36,38)/t15-,16-/m1/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452000
PNG
(US10710986, Example 140 | US11555029, No. 140)
Show SMILES COc1nc(cnc1CNCCO)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCCO)c(OC)n1
Show InChI InChI=1S/C28H30Cl2N6O4/c1-39-27-23(13-31-9-11-37)33-15-21(35-27)19-7-3-5-17(25(19)29)18-6-4-8-20(26(18)30)22-16-34-24(14-32-10-12-38)28(36-22)40-2/h3-8,15-16,31-32,37-38H,9-14H2,1-2H3
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452005
PNG
(US10710986, Example 145 | US11555029, No. 145)
Show SMILES COc1nc(cnc1CN1CC(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(CO)C2)c(OC)n1
Show InChI InChI=1S/C32H34Cl2N6O4/c1-43-31-27(15-39-11-19(12-39)17-41)35-9-25(37-31)23-7-3-5-21(29(23)33)22-6-4-8-24(30(22)34)26-10-36-28(32(38-26)44-2)16-40-13-20(14-40)18-42/h3-10,19-20,41-42H,11-18H2,1-2H3
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452015
PNG
(US10710986, Example 155 | US11555029, No. 155)
Show SMILES COc1nc(ccc1CNCc1ccc2[nH]c(C)cc2c1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452022
PNG
(US10710986, Example 162 | US11555029, No. 162)
Show SMILES COc1nc(ccc1CNC1CCOCC1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C35H38Cl2N6O4/c1-45-34-21(17-39-22-13-15-47-16-14-22)9-11-28(42-34)26-7-3-5-24(32(26)36)25-6-4-8-27(33(25)37)29-20-40-30(35(43-29)46-2)19-38-18-23-10-12-31(44)41-23/h3-9,11,20,22-23,38-39H,10,12-19H2,1-2H3,(H,41,44)/t23-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452023
PNG
(US10710986, Example 163 | US11555029, No. 163)
Show SMILES COc1nc(ccc1CN1CCC(CC1)C(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C36H39Cl2N7O4/c1-48-35-22(20-45-15-13-21(14-16-45)34(39)47)9-11-28(43-35)26-7-3-5-24(32(26)37)25-6-4-8-27(33(25)38)29-19-41-30(36(44-29)49-2)18-40-17-23-10-12-31(46)42-23/h3-9,11,19,21,23,40H,10,12-18,20H2,1-2H3,(H2,39,47)(H,42,46)/t23-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452026
PNG
(US10710986, Example 166 | US11555029, No. 166)
Show SMILES COc1nc(ccc1CN[C@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C34H35Cl2N7O4/c1-46-33-19(14-38-21-13-30(45)40-16-21)9-11-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-18-39-28(34(43-27)47-2)17-37-15-20-10-12-29(44)41-20/h3-9,11,18,20-21,37-38H,10,12-17H2,1-2H3,(H,40,45)(H,41,44)/t20-,21+/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452031
PNG
(US10710986, Example 171 | US11555029, No. 171)
Show SMILES COc1nc(ccc1CN[C@H]1CCOC1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C34H36Cl2N6O4/c1-44-33-20(15-38-22-13-14-46-19-22)9-11-27(41-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-18-39-29(34(42-28)45-2)17-37-16-21-10-12-30(43)40-21/h3-9,11,18,21-22,37-38H,10,12-17,19H2,1-2H3,(H,40,43)/t21-,22-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452047
PNG
(US10710986, Example 187 | US11555029, No. 187)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2C[C@H]3C[C@H]3[C@H]2CO)c(OC)n1 |r|
Show InChI InChI=1S/C35H37Cl2N7O4/c1-47-34-28(13-38-12-20-9-10-31(46)41-20)39-14-26(42-34)23-7-3-5-21(32(23)36)22-6-4-8-24(33(22)37)27-15-40-29(35(43-27)48-2)17-44-16-19-11-25(19)30(44)18-45/h3-8,14-15,19-20,25,30,38,45H,9-13,16-18H2,1-2H3,(H,41,46)/t19-,20+,25-,30-/m1/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452054
PNG
(US10710986, Example 194 | US11555029, No. 194)
Show SMILES COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2CCN(C2)C(C)=O)c(OC)n1 |r|
Show InChI InChI=1S/C35H38Cl2N8O4/c1-20(46)45-13-12-22(19-45)39-18-30-35(49-3)44-28(17-41-30)26-9-5-7-24(33(26)37)23-6-4-8-25(32(23)36)27-16-40-29(34(43-27)48-2)15-38-14-21-10-11-31(47)42-21/h4-9,16-17,21-22,38-39H,10-15,18-19H2,1-3H3,(H,42,47)/t21-,22?/m1/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452103
PNG
(US10710986, Example 242 | US11555029, No. 242)
Show SMILES COc1nc(cnc1CNC[C@H]1C[C@H](O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@H]2C[C@H](O)C2)c(OC)n1 |r,wU:37.40,11.11,wD:39.43,13.14,(8.67,-1.93,;8.67,-.38,;7.34,.38,;6,-.38,;4.67,.38,;4.67,1.93,;6,2.69,;7.34,1.93,;8.67,2.69,;10,1.93,;11.34,2.69,;12.67,1.93,;14.16,2.32,;14.56,.84,;15.89,.07,;13.07,.44,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;2,1.93,;-.67,.38,;-.67,1.93,;-2,2.69,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-2,-1.93,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-8.67,-2.69,;-10,-1.93,;-11.34,-2.69,;-12.67,-1.93,;-14.16,-2.32,;-14.56,-.84,;-15.89,-.07,;-13.07,-.44,;-7.34,-.38,;-8.67,.38,;-8.67,1.93,;-6,.38,)|
Show InChI InChI=1S/C34H38Cl2N6O4/c1-45-33-29(15-37-13-19-9-21(43)10-19)39-17-27(41-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-18-40-30(34(42-28)46-2)16-38-14-20-11-22(44)12-20/h3-8,17-22,37-38,43-44H,9-16H2,1-2H3/t19-,20-,21-,22-
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452115
PNG
(US10710986, Example 254 | US11555029, No. 254)
Show SMILES COc1nc(cnc1CNC[C@H]1CCN1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C33H36Cl2N8O3/c1-45-32-27(15-36-13-19-11-12-38-19)39-17-25(42-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-18-40-28(33(43-26)46-2)16-37-14-20-9-10-29(44)41-20/h3-8,17-20,36-38H,9-16H2,1-2H3,(H,41,44)/t19-,20+/m1/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452118
PNG
(US10710986, Example 257 | US11555029, No. 257)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H](CO)C(C)C)c(OC)n1 |r|
Show InChI InChI=1S/C34H39Cl2N7O4/c1-19(2)29(18-44)40-17-28-34(47-4)43-26(16-39-28)24-10-6-8-22(32(24)36)21-7-5-9-23(31(21)35)25-15-38-27(33(42-25)46-3)14-37-13-20-11-12-30(45)41-20/h5-10,15-16,19-20,29,37,40,44H,11-14,17-18H2,1-4H3,(H,41,45)/t20-,29+/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452156
PNG
(US10710986, Example 295 | US11555029, No. 295)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CCO[C@@H]2C)c(OC)n1 |r|
Show InChI InChI=1S/C34H37Cl2N7O4/c1-19-25(12-13-47-19)38-18-29-34(46-3)43-27(17-40-29)24-9-5-7-22(32(24)36)21-6-4-8-23(31(21)35)26-16-39-28(33(42-26)45-2)15-37-14-20-10-11-30(44)41-20/h4-9,16-17,19-20,25,37-38H,10-15,18H2,1-3H3,(H,41,44)/t19-,20+,25-/m1/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452171
PNG
(US10710986, Example 309 | US11555029, No. 309)
Show SMILES COC[C@H]1CCN1Cc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C34H37Cl2N7O4/c1-45-19-21-12-13-43(21)18-29-34(47-3)42-27(17-39-29)25-9-5-7-23(32(25)36)22-6-4-8-24(31(22)35)26-16-38-28(33(41-26)46-2)15-37-14-20-10-11-30(44)40-20/h4-9,16-17,20-21,37H,10-15,18-19H2,1-3H3,(H,40,44)/t20-,21+/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452179
PNG
(US10710986, Example 317 | US11555029, No. 317)
Show SMILES COc1nc(cnc1CN[C@@H](C)[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H](C)[C@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C36H40Cl2N8O4/c1-19(25-11-13-31(47)43-25)39-17-29-35(49-3)45-27(15-41-29)23-9-5-7-21(33(23)37)22-8-6-10-24(34(22)38)28-16-42-30(36(46-28)50-4)18-40-20(2)26-12-14-32(48)44-26/h5-10,15-16,19-20,25-26,39-40H,11-14,17-18H2,1-4H3,(H,43,47)(H,44,48)/t19-,20-,25+,26+/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452180
PNG
(US10710986, Example 318 | US11555029, No. 318)
Show SMILES COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C29H29Cl2N7O3/c1-40-28-21(11-32)34-14-22(37-28)19-7-3-5-17(26(19)30)18-6-4-8-20(27(18)31)23-15-35-24(29(38-23)41-2)13-33-12-16-9-10-25(39)36-16/h3-8,14-16,33H,9-13,32H2,1-2H3,(H,36,39)/t16-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452181
PNG
(US10710986, Example 319 | US11555029, No. 319)
Show SMILES CNc1nc(cnc1CN(C)C[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(C)C[C@@H]2CCC(=O)N2)c(NC)n1 |r|
Show InChI InChI=1S/C36H42Cl2N10O2/c1-39-35-29(19-47(3)17-21-11-13-31(49)43-21)41-15-27(45-35)25-9-5-7-23(33(25)37)24-8-6-10-26(34(24)38)28-16-42-30(36(40-2)46-28)20-48(4)18-22-12-14-32(50)44-22/h5-10,15-16,21-22H,11-14,17-20H2,1-4H3,(H,39,45)(H,40,46)(H,43,49)(H,44,50)/t21-,22-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452190
PNG
(US10710986, Example 328 | US11555029, No. 328)
Show SMILES COc1nc(cnc1CN(CC1CC1)C[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(CC2CC2)C[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C42H48Cl2N8O4/c1-55-41-35(23-51(19-25-9-10-25)21-27-13-15-37(53)47-27)45-17-33(49-41)31-7-3-5-29(39(31)43)30-6-4-8-32(40(30)44)34-18-46-36(42(50-34)56-2)24-52(20-26-11-12-26)22-28-14-16-38(54)48-28/h3-8,17-18,25-28H,9-16,19-24H2,1-2H3,(H,47,53)(H,48,54)/t27-,28-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452194
PNG
(US10710986, Example 332 | US11555029, No. 332)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2[C@@H](C)COC[C@@H]2C)c(OC)n1 |r|
Show InChI InChI=1S/C35H39Cl2N7O4/c1-20-18-48-19-21(2)44(20)17-30-35(47-4)43-28(16-40-30)26-10-6-8-24(33(26)37)23-7-5-9-25(32(23)36)27-15-39-29(34(42-27)46-3)14-38-13-22-11-12-31(45)41-22/h5-10,15-16,20-22,38H,11-14,17-19H2,1-4H3,(H,41,45)/t20-,21-,22-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452197
PNG
(US10710986, Example 335 | US11555029, No. 335)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2CCOC[C@@H]2O)c(OC)n1 |r|
Show InChI InChI=1S/C34H37Cl2N7O5/c1-46-33-27(14-37-13-19-9-10-30(45)41-19)39-15-25(42-33)22-7-3-5-20(31(22)35)21-6-4-8-23(32(21)36)26-16-40-28(34(43-26)47-2)17-38-24-11-12-48-18-29(24)44/h3-8,15-16,19,24,29,37-38,44H,9-14,17-18H2,1-2H3,(H,41,45)/t19-,24-,29-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452200
PNG
(US10710986, Example 338 | US11555029, No. 338)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2ncccc2O)c(OC)n1 |r|
Show InChI InChI=1S/C35H34Cl2N8O4/c1-48-34-28(16-38-14-20-11-12-31(47)43-20)41-18-25(44-34)23-8-3-6-21(32(23)36)22-7-4-9-24(33(22)37)26-19-42-29(35(45-26)49-2)17-39-15-27-30(46)10-5-13-40-27/h3-10,13,18-20,38-39,46H,11-12,14-17H2,1-2H3,(H,43,47)/t20-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452204
PNG
(US10710986, Example 342 | US11555029, No. 342)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@H](O)C2)c(OC)n1 |r,wU:11.11,37.40,wD:39.43,(-7.63,1,;-7.63,-.54,;-6.29,-1.31,;-4.96,-.54,;-3.63,-1.31,;-3.63,-2.85,;-4.96,-3.62,;-6.29,-2.85,;-7.63,-3.62,;-8.96,-2.85,;-10.29,-3.62,;-11.63,-2.85,;-11.79,-1.32,;-13.3,-1,;-14.07,-2.34,;-15.6,-2.5,;-13.04,-3.48,;-2.29,-.54,;-2.29,1,;-.96,1.77,;.37,1,;.37,-.54,;-.96,-1.31,;-.96,-2.85,;1.71,-1.31,;1.71,-2.85,;3.04,-3.62,;4.38,-2.85,;4.38,-1.31,;3.04,-.54,;3.04,1,;5.71,-.54,;5.71,1,;7.04,1.77,;8.38,1,;9.71,1.77,;11.04,1,;12.38,1.77,;12.78,3.25,;14.26,2.85,;15.6,3.62,;13.87,1.37,;8.38,-.54,;9.71,-1.31,;9.71,-2.85,;7.04,-1.31,)|
Show InChI InChI=1S/C33H35Cl2N7O4/c1-45-32-27(14-36-13-18-9-10-29(44)40-18)38-15-25(41-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-16-39-28(33(42-26)46-2)17-37-19-11-20(43)12-19/h3-8,15-16,18-20,36-37,43H,9-14,17H2,1-2H3,(H,40,44)/t18-,19-,20-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452215
PNG
(US10710986, Example 353 | US11555029, No. 353)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@@H]2CC[C@H](O)C2)c(OC)n1 |r|
Show InChI InChI=1S/C34H37Cl2N7O4/c1-46-33-28(15-37-14-20-10-12-30(45)41-20)39-16-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-17-40-29(34(43-27)47-2)18-38-19-9-11-21(44)13-19/h3-8,16-17,19-21,37-38,44H,9-15,18H2,1-2H3,(H,41,45)/t19-,20+,21+/m1/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452230
PNG
(US10710986, Example 368 | US11555029, No. 368)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 |r|
Show InChI InChI=1S/C35H36Cl2N8O4/c1-48-33-27(13-38-12-20-9-10-29(46)42-20)39-14-25(43-33)23-7-3-5-21(31(23)36)22-6-4-8-24(32(22)37)26-15-40-28(34(44-26)49-2)16-45-18-35(19-45)11-30(47)41-17-35/h3-8,14-15,20,38H,9-13,16-19H2,1-2H3,(H,41,47)(H,42,46)/t20-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452242
PNG
(US10710986, Example 380 | US11555029, No. 380)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](O)C2)c(OC)n1 |r|
Show InChI InChI=1S/C33H35Cl2N7O4/c1-45-32-27(14-36-13-19-9-10-29(44)39-19)37-15-25(40-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-16-38-28(33(41-26)46-2)18-42-12-11-20(43)17-42/h3-8,15-16,19-20,36,43H,9-14,17-18H2,1-2H3,(H,39,44)/t19-,20+/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452264
PNG
(US10710986, Example 402 | US11555029, No. 402)
Show SMILES CNCc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC)c(OC)n1
Show InChI InChI=1S/C26H26Cl2N6O2/c1-29-11-21-25(35-3)33-19(13-31-21)17-9-5-7-15(23(17)27)16-8-6-10-18(24(16)28)20-14-32-22(12-30-2)26(34-20)36-4/h5-10,13-14,29-30H,11-12H2,1-4H3
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452277
PNG
(US10710986, Example 415 | US11555029, No. 415)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC2CCN(CC2)C(=O)c2ccoc2)c(OC)n1 |r|
Show InChI InChI=1S/C39H40Cl2N8O5/c1-52-37-32(18-42-17-25-9-10-34(50)46-25)44-19-30(47-37)28-7-3-5-26(35(28)40)27-6-4-8-29(36(27)41)31-20-45-33(38(48-31)53-2)21-43-24-11-14-49(15-12-24)39(51)23-13-16-54-22-23/h3-8,13,16,19-20,22,24-25,42-43H,9-12,14-15,17-18,21H2,1-2H3,(H,46,50)/t25-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452280
PNG
(US10710986, Example 418 | US11555029, No. 418)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2ccccn2)c(OC)n1 |r|
Show InChI InChI=1S/C35H34Cl2N8O3/c1-47-34-29(17-38-15-21-7-3-4-14-40-21)41-19-27(44-34)25-10-5-8-23(32(25)36)24-9-6-11-26(33(24)37)28-20-42-30(35(45-28)48-2)18-39-16-22-12-13-31(46)43-22/h3-11,14,19-20,22,38-39H,12-13,15-18H2,1-2H3,(H,43,46)/t22-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452294
PNG
(US10710986, Example 432 | US11555029, No. 432)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2C[C@](O)(CF)C2)c(OC)n1 |r,wU:11.11,37.40,39.43,wD:39.44,(-7.63,1,;-7.63,-.54,;-6.29,-1.31,;-4.96,-.54,;-3.63,-1.31,;-3.63,-2.85,;-4.96,-3.62,;-6.29,-2.85,;-7.63,-3.62,;-8.96,-2.85,;-10.29,-3.62,;-11.63,-2.85,;-11.79,-1.32,;-13.3,-1,;-14.07,-2.34,;-15.6,-2.5,;-13.04,-3.48,;-2.29,-.54,;-2.29,1,;-.96,1.77,;.37,1,;.37,-.54,;-.96,-1.31,;-.96,-2.85,;1.71,-1.31,;1.71,-2.85,;3.04,-3.62,;4.38,-2.85,;4.38,-1.31,;3.04,-.54,;3.04,1,;5.71,-.54,;5.71,1,;7.04,1.77,;8.38,1,;9.71,1.77,;11.04,1,;12.38,1.77,;12.78,3.25,;14.26,2.85,;15.6,3.62,;15.6,2.08,;15.6,.54,;13.87,1.37,;8.38,-.54,;9.71,-1.31,;9.71,-2.85,;7.04,-1.31,)|
Show InChI InChI=1S/C34H36Cl2FN7O4/c1-47-32-27(14-38-13-19-9-10-29(45)42-19)40-15-25(43-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-16-41-28(33(44-26)48-2)17-39-20-11-34(46,12-20)18-37/h3-8,15-16,19-20,38-39,46H,9-14,17-18H2,1-2H3,(H,42,45)/t19-,20-,34+/m0/s1
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n/an/a 0.0840n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452296
PNG
(US10710986, Example 434 | US11555029, No. 434)
Show SMILES COc1nc(cnc1CNCC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C36H40Cl2N8O4/c1-49-35-29(17-39-15-13-21-9-11-31(47)43-21)41-19-27(45-35)25-7-3-5-23(33(25)37)24-6-4-8-26(34(24)38)28-20-42-30(36(46-28)50-2)18-40-16-14-22-10-12-32(48)44-22/h3-8,19-22,39-40H,9-18H2,1-2H3,(H,43,47)(H,44,48)/t21-,22-/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452304
PNG
(US10710986, Example 442 | US11555029, No. 442)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C)(CO)C2)c(OC)n1 |r|
Show InChI InChI=1S/C35H39Cl2N7O4/c1-35(20-45)12-13-44(19-35)18-29-34(48-3)43-27(17-40-29)25-9-5-7-23(32(25)37)22-6-4-8-24(31(22)36)26-16-39-28(33(42-26)47-2)15-38-14-21-10-11-30(46)41-21/h4-9,16-17,21,38,45H,10-15,18-20H2,1-3H3,(H,41,46)/t21-,35?/m0/s1
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452351
PNG
(US10710986, Example 489 | US11555029, No. 489)
Show SMILES COc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CN(C4)C(C)=O)nn(C)c2n1
Show InChI InChI=1S/C39H40Cl2N10O3/c1-23(52)50-19-38(20-50)15-48(16-38)13-31-35-36(47(3)46-31)44-29(12-43-35)27-9-5-7-25(33(27)40)26-8-6-10-28(34(26)41)30-11-42-32(37(45-30)54-4)14-49-17-39(18-49)21-51(22-39)24(2)53/h5-12H,13-22H2,1-4H3
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n/an/a 0.332n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))		BDBM452354
PNG
(US10710986, Example 492 | US11555029, No. 492)
Show SMILES COc1nc(cnc1CN1CC(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc2c(CN3CC(O)C3)cn(C)c2n1
Show InChI InChI=1S/C33H32Cl2N6O3/c1-39-12-19(13-40-14-20(42)15-40)22-9-10-27(37-32(22)39)25-7-3-5-23(30(25)34)24-6-4-8-26(31(24)35)28-11-36-29(33(38-28)44-2)18-41-16-21(43)17-41/h3-12,20-21,42-43H,13-18H2,1-2H3
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Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...

US Patent US10710986 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SZM
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%