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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))		BDBM452150
PNG
(US10710986, Example 289 | US11555029, No. 289)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(CC(O)C3)C2)c(OC)n1 |r|
Show InChI InChI=1S/C35H37Cl2N7O4/c1-47-33-28(14-38-13-20-9-10-30(46)41-20)39-15-26(42-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-16-40-29(34(43-27)48-2)17-44-18-35(19-44)11-21(45)12-35/h3-8,15-16,20-21,38,45H,9-14,17-19H2,1-2H3,(H,41,46)/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))		BDBM451887
PNG
(US10710986, Example 26 | US11555029, No. 26)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2cnn(CCO)c2)c(OC)n1 |r|
Show InChI InChI=1S/C35H37Cl2N9O4/c1-49-34-29(16-38-13-21-14-42-46(20-21)11-12-47)40-18-27(44-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-19-41-30(35(45-28)50-2)17-39-15-22-9-10-31(48)43-22/h3-8,14,18-20,22,38-39,47H,9-13,15-17H2,1-2H3,(H,43,48)/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))		BDBM452113
PNG
(US10710986, Example 252 | US11555029, No. 252)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(F)(CO)C2)c(OC)n1 |r|
Show InChI InChI=1S/C33H34Cl2FN7O4/c1-46-31-26(12-37-11-19-9-10-28(45)40-19)38-13-24(41-31)22-7-3-5-20(29(22)34)21-6-4-8-23(30(21)35)25-14-39-27(32(42-25)47-2)15-43-16-33(36,17-43)18-44/h3-8,13-14,19,37,44H,9-12,15-18H2,1-2H3,(H,40,45)/t19-/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))		BDBM452147
PNG
(US10710986, Example 286 | US11555029, No. 286)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2(O)CCS(=O)(=O)C2)c(OC)n1 |r|
Show InChI InChI=1S/C34H37Cl2N7O6S/c1-48-32-27(14-37-13-20-9-10-29(44)41-20)39-16-25(42-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-17-40-28(33(43-26)49-2)15-38-18-34(45)11-12-50(46,47)19-34/h3-8,16-17,20,37-38,45H,9-15,18-19H2,1-2H3,(H,41,44)/t20-,34?/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))		BDBM452008
PNG
(US10710986, Example 148 | US11555029, No. 148)
Show SMILES COc1nc(cnc1CN1CC(C)(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(CO)C2)c(OC)n1
Show InChI InChI=1S/C34H38Cl2N6O4/c1-33(19-43)15-41(16-33)13-27-31(45-3)39-25(11-37-27)23-9-5-7-21(29(23)35)22-8-6-10-24(30(22)36)26-12-38-28(32(40-26)46-4)14-42-17-34(2,18-42)20-44/h5-12,43-44H,13-20H2,1-4H3
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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))		BDBM452007
PNG
(US10710986, Example 147 | US11555029, No. 147)
Show SMILES COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1
Show InChI InChI=1S/C32H34Cl2N6O4/c1-31(41)15-39(16-31)13-25-29(43-3)37-23(11-35-25)21-9-5-7-19(27(21)33)20-8-6-10-22(28(20)34)24-12-36-26(30(38-24)44-4)14-40-17-32(2,42)18-40/h5-12,41-42H,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))		BDBM452232
PNG
(US10710986, Example 370 | US11555029, No. 370)
Show SMILES COc1nc(cnc1CNCCn1ccccc1=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C36H36Cl2N8O4/c1-49-35-29(18-39-14-16-46-15-4-3-11-32(46)48)41-20-27(44-35)25-9-5-7-23(33(25)37)24-8-6-10-26(34(24)38)28-21-42-30(36(45-28)50-2)19-40-17-22-12-13-31(47)43-22/h3-11,15,20-22,39-40H,12-14,16-19H2,1-2H3,(H,43,47)/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))		BDBM452504
PNG
(US10710986, Example 645 | US11555029, No. 645)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 |r,t:39|
Show InChI InChI=1S/C32H31Cl2N7O3/c1-43-31-18(15-35-16-19-10-12-26(42)39-19)9-11-24(40-31)22-7-3-5-20(27(22)33)21-6-4-8-23(28(21)34)25-17-38-29(32(41-25)44-2)30-36-13-14-37-30/h3-9,11,17,19,35H,10,12-16H2,1-2H3,(H,36,37)(H,39,42)/t19-/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))		BDBM452510
PNG
(US10710986, Example 651 | US11555029, No. 651)
Show SMILES COc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1F)-c1cc(C)c(CN2CC3(C2)CNC(=O)C3)c(OC)n1
Show InChI InChI=1S/C38H39ClFN7O4/c1-22-10-28(44-35(50-2)27(22)14-46-18-37(19-46)11-31(48)42-16-37)26-9-5-7-24(34(26)40)23-6-4-8-25(33(23)39)29-13-41-30(36(45-29)51-3)15-47-20-38(21-47)12-32(49)43-17-38/h4-10,13H,11-12,14-21H2,1-3H3,(H,42,48)(H,43,49)
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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))		BDBM451906
PNG
(US10710986, Example 45 | US11555029, No. 45)
Show SMILES COc1nc(cnc1CNCCC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C32H34Cl2N8O4/c1-45-31-25(14-36-12-11-27(35)43)38-16-23(41-31)21-7-3-5-19(29(21)33)20-6-4-8-22(30(20)34)24-17-39-26(32(42-24)46-2)15-37-13-18-9-10-28(44)40-18/h3-8,16-18,36-37H,9-15H2,1-2H3,(H2,35,43)(H,40,44)/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))		BDBM452092
PNG
(US10710986, Example 231 | US11555029, No. 231)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](O)[C@H](C)C2)c(OC)n1 |r|
Show InChI InChI=1S/C35H39Cl2N7O4/c1-20-18-44(13-12-30(20)45)19-29-35(48-3)43-27(17-40-29)25-9-5-7-23(33(25)37)22-6-4-8-24(32(22)36)26-16-39-28(34(42-26)47-2)15-38-14-21-10-11-31(46)41-21/h4-9,16-17,20-21,30,38,45H,10-15,18-19H2,1-3H3,(H,41,46)/t20-,21+,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))		BDBM452442
PNG
(US10710986, Example 583 | US11555029, No. 583)
Show SMILES COc1nc(cnc1CN)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1 |t:31|
Show InChI InChI=1S/C27H24Cl2N6O2/c1-36-26-19(25-31-11-12-32-25)9-10-20(34-26)17-7-3-5-15(23(17)28)16-6-4-8-18(24(16)29)22-14-33-21(13-30)27(35-22)37-2/h3-10,14H,11-13,30H2,1-2H3,(H,31,32)
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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))		BDBM452229
PNG
(US10710986, Example 367 | US11555029, No. 367)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CS(=O)(=O)C3)c(OC)n1 |r|
Show InChI InChI=1S/C34H35Cl2N7O5S/c1-47-32-27(12-37-11-20-9-10-29(44)40-20)38-13-25(41-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-14-39-28(33(42-26)48-2)15-43-16-34(17-43)18-49(45,46)19-34/h3-8,13-14,20,37H,9-12,15-19H2,1-2H3,(H,40,44)/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))		BDBM452310
PNG
(US10710986, Example 448 | US11555029, No. 448)
Show SMILES COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](CO)C2)c(OC)n1 |r|
Show InChI InChI=1S/C33H36Cl2N6O4/c1-33(43)18-41(19-33)16-28-32(45-3)39-26(13-37-28)24-9-5-7-22(30(24)35)21-6-4-8-23(29(21)34)25-12-36-27(31(38-25)44-2)15-40-11-10-20(14-40)17-42/h4-9,12-13,20,42-43H,10-11,14-19H2,1-3H3/t20-/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))		BDBM452417
PNG
(US10710986, Example 558 | US11555029, No. 558)
Show SMILES CNC(=O)C1CN(Cc2ncc(nc2OC)-c2cccc(c2Cl)-c2cccc(c2Cl)-c2cnc(CNC[C@@H]3CCC(=O)N3)c(OC)n2)C1 |r|
Show InChI InChI=1S/C34H36Cl2N8O4/c1-37-32(46)19-16-44(17-19)18-28-34(48-3)43-26(15-40-28)24-9-5-7-22(31(24)36)21-6-4-8-23(30(21)35)25-14-39-27(33(42-25)47-2)13-38-12-20-10-11-29(45)41-20/h4-9,14-15,19-20,38H,10-13,16-18H2,1-3H3,(H,37,46)(H,41,45)/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))		BDBM452501
PNG
(US10710986, Example 642 | US11555029, No. 642)
Show SMILES COc1nc(ccc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 |t:37|
Show InChI InChI=1S/C31H30Cl2N6O3/c1-31(40)16-39(17-31)15-18-10-11-23(37-29(18)41-2)21-8-4-6-19(25(21)32)20-7-5-9-22(26(20)33)24-14-36-27(30(38-24)42-3)28-34-12-13-35-28/h4-11,14,40H,12-13,15-17H2,1-3H3,(H,34,35)
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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))		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))		BDBM452055
PNG
(US10710986, Example 195 | US11555029, No. 195)
Show SMILES COc1nc(cnc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN[C@H]2CC[C@@H](CC2)NC(C)=O)c(OC)n1 |r,wU:11.11,40.47,wD:37.40,(-9.45,-.38,;-9.45,-1.92,;-8.12,-2.69,;-6.78,-1.92,;-5.45,-2.69,;-5.45,-4.23,;-6.78,-5,;-8.12,-4.23,;-9.45,-5,;-10.78,-4.23,;-12.12,-5,;-13.45,-4.23,;-14.86,-4.86,;-15.89,-3.72,;-15.12,-2.38,;-15.75,-.98,;-13.61,-2.7,;-4.12,-1.92,;-4.12,-.38,;-2.78,.39,;-1.45,-.38,;-1.45,-1.92,;-2.78,-2.69,;-2.78,-4.23,;-.11,-2.69,;-.11,-4.23,;1.22,-5,;2.55,-4.23,;2.55,-2.69,;1.22,-1.92,;1.22,-.38,;3.89,-1.92,;3.89,-.38,;5.22,.39,;6.55,-.38,;7.89,.39,;9.22,-.38,;10.55,.38,;11.89,-.39,;13.22,.38,;13.22,1.92,;11.89,2.7,;10.55,1.92,;14.56,2.69,;14.56,4.23,;13.22,5,;15.89,5,;6.55,-1.92,;7.89,-2.69,;7.89,-4.23,;5.22,-2.69,)|
Show InChI InChI=1S/C37H42Cl2N8O4/c1-21(48)44-23-12-10-22(11-13-23)41-20-32-37(51-3)47-30(19-43-32)28-9-5-7-26(35(28)39)25-6-4-8-27(34(25)38)29-18-42-31(36(46-29)50-2)17-40-16-24-14-15-33(49)45-24/h4-9,18-19,22-24,40-41H,10-17,20H2,1-3H3,(H,44,48)(H,45,49)/t22-,23-,24-/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))		BDBM452309
PNG
(US10710986, Example 447 | US11555029, No. 447)
Show SMILES COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1
Show InChI InChI=1S/C35H37Cl2N7O4/c1-21(45)44-19-35(20-44)17-43(18-35)14-29-33(48-4)41-27(12-39-29)25-10-6-8-23(31(25)37)22-7-5-9-24(30(22)36)26-11-38-28(32(40-26)47-3)13-42-15-34(2,46)16-42/h5-12,46H,13-20H2,1-4H3
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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))		BDBM452312
PNG
(US10710986, Example 450 | US11555029, No. 450)
Show SMILES COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CCC(=O)N4)cn(C)c2c1
Show InChI InChI=1S/C39H38Cl2N8O3/c1-47-16-24(17-48-19-38(20-48)11-9-32(50)45-38)36-31(47)13-23(14-43-36)25-5-3-6-26(34(25)40)27-7-4-8-28(35(27)41)29-15-42-30(37(44-29)52-2)18-49-21-39(22-49)12-10-33(51)46-39/h3-8,13-16H,9-12,17-22H2,1-2H3,(H,45,50)(H,46,51)
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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))		BDBM452430
PNG
(US10710986, Example 571 | US11555029, No. 571)
Show SMILES COc1nc(cnc1CN1CC(C1)NS(N)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)NS(N)(=O)=O)c(OC)n1
Show InChI InChI=1S/C30H34Cl2N10O6S2/c1-47-29-25(15-41-11-17(12-41)39-49(33,43)44)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(38-24)48-2)16-42-13-18(14-42)40-50(34,45)46/h3-10,17-18,39-40H,11-16H2,1-2H3,(H2,33,43,44)(H2,34,45,46)
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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))		BDBM452492
PNG
(US10710986, Example 633 | US11555029, No. 633)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(C2)CNC(=O)C3)c(OC)n1 |r|
Show InChI InChI=1S/C36H37Cl2N7O4/c1-48-34-21(14-39-15-22-10-12-30(46)42-22)9-11-27(43-34)25-7-3-5-23(32(25)37)24-6-4-8-26(33(24)38)28-16-40-29(35(44-28)49-2)17-45-19-36(20-45)13-31(47)41-18-36/h3-9,11,16,22,39H,10,12-15,17-20H2,1-2H3,(H,41,47)(H,42,46)/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))		BDBM452506
PNG
(US10710986, Example 647 | US11555029, No. 647)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@@H](C)N2)c(OC)n1 |r,t:39|
Show InChI InChI=1S/C32H32Cl2N8O3/c1-17-12-38-30(39-17)29-32(45-3)42-24(16-37-29)22-9-5-7-20(28(22)34)19-6-4-8-21(27(19)33)23-15-36-25(31(41-23)44-2)14-35-13-18-10-11-26(43)40-18/h4-9,15-18,35H,10-14H2,1-3H3,(H,38,39)(H,40,43)/t17-,18+/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))		BDBM452434
PNG
(US10710986, Example 575 | US11555029, No. 575)
Show SMILES COc1nc(cnc1CNCCNS(C)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCCNS(C)(=O)=O)c(OC)n1
Show InChI InChI=1S/C30H36Cl2N8O6S2/c1-45-29-25(15-33-11-13-37-47(3,41)42)35-17-23(39-29)21-9-5-7-19(27(21)31)20-8-6-10-22(28(20)32)24-18-36-26(30(40-24)46-2)16-34-12-14-38-48(4,43)44/h5-10,17-18,33-34,37-38H,11-16H2,1-4H3
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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))		BDBM451989
PNG
(US10710986, Example 129 | US11555029, No. 129)
Show SMILES COc1nc(cnc1C1=NC[C@@H](C)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@@H](C)N2)c(OC)n1 |r,t:9,36|
Show InChI InChI=1S/C30H28Cl2N8O2/c1-15-11-35-27(37-15)25-29(41-3)39-21(13-33-25)19-9-5-7-17(23(19)31)18-8-6-10-20(24(18)32)22-14-34-26(30(40-22)42-4)28-36-12-16(2)38-28/h5-10,13-16H,11-12H2,1-4H3,(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))		BDBM452017
PNG
(US10710986, Example 157 | US11555029, No. 157)
Show SMILES COc1nc(ccc1CN1CC(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C34H36Cl2N6O4/c1-45-33-21(18-42-16-20(17-42)19-43)9-11-27(40-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-15-38-29(34(41-28)46-2)14-37-13-22-10-12-30(44)39-22/h3-9,11,15,20,22,37,43H,10,12-14,16-19H2,1-2H3,(H,39,44)/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))		BDBM452136
PNG
(US10710986, Example 275 | US11555029, No. 275)
Show SMILES COc1nc(cnc1CNC[C@H]1C[C@H](O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r,wU:37.40,11.11,wD:13.14,(8.86,-1.93,;8.86,-.39,;7.52,.38,;6.19,-.39,;4.86,.38,;4.86,1.92,;6.19,2.69,;7.52,1.92,;8.86,2.69,;10.19,1.92,;11.53,2.7,;12.86,1.93,;14.19,2.7,;14.96,1.36,;16.45,.96,;13.63,.59,;3.52,-.39,;3.52,-1.93,;2.19,-2.7,;.86,-1.93,;.86,-.39,;2.19,.38,;2.19,1.92,;-.48,.38,;-.48,1.92,;-1.81,2.69,;-3.15,1.92,;-3.15,.38,;-1.81,-.39,;-1.81,-1.93,;-4.48,-.39,;-4.48,-1.93,;-5.81,-2.7,;-7.15,-1.93,;-8.48,-2.7,;-9.81,-1.93,;-11.15,-2.7,;-12.48,-1.93,;-12.64,-.39,;-14.15,-.07,;-14.92,-1.41,;-16.45,-1.57,;-13.89,-2.55,;-7.15,-.39,;-8.48,.38,;-8.48,1.92,;-5.81,.38,)|
Show InChI InChI=1S/C34H37Cl2N7O4/c1-46-33-28(15-37-13-19-11-21(44)12-19)39-17-26(42-33)24-7-3-5-22(31(24)35)23-6-4-8-25(32(23)36)27-18-40-29(34(43-27)47-2)16-38-14-20-9-10-30(45)41-20/h3-8,17-21,37-38,44H,9-16H2,1-2H3,(H,41,45)/t19-,20-,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))		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))		BDBM452303
PNG
(US10710986, Example 441 | US11555029, No. 441)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)c2cn[nH]c2)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))		BDBM452342
PNG
(US10710986, Example 480 | US11555029, No. 480)
Show SMILES COc1nc(cnc1CNC[C@@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CNC(=O)C2)c(OC)n1 |r|
Show InChI InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-11-19-9-29(45)41-13-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-12-20-10-30(46)42-14-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/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))		BDBM452353
PNG
(US10710986, Example 491 | US11555029, No. 491)
Show SMILES COc1nc(cnc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc2c(CN3CC4(C3)CN(C4)C(C)=O)cn(C)c2n1
Show InChI InChI=1S/C41H42Cl2N8O3/c1-25(52)50-21-40(22-50)17-48(18-40)15-27-14-47(3)38-28(27)11-12-33(45-38)31-9-5-7-29(36(31)42)30-8-6-10-32(37(30)43)34-13-44-35(39(46-34)54-4)16-49-19-41(20-49)23-51(24-41)26(2)53/h5-14H,15-24H2,1-4H3
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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))		BDBM452387
PNG
(US10710986, Example 528 | US11555029, No. 528)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC(C2)N2CCNC2=O)c(OC)n1 |r|
Show InChI InChI=1S/C36H39Cl2N9O4/c1-50-34-29(16-39-15-21-9-10-31(48)43-21)41-17-27(44-34)25-7-3-5-23(32(25)37)24-6-4-8-26(33(24)38)28-18-42-30(35(45-28)51-2)20-46-13-11-22(19-46)47-14-12-40-36(47)49/h3-8,17-18,21-22,39H,9-16,19-20H2,1-2H3,(H,40,49)(H,43,48)/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))		BDBM452426
PNG
(US10710986, Example 567 | US11555029, No. 567)
Show SMILES COc1nc(cnc1CNC[C@H]1C[C@](C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r,wU:38.41,11.11,13.14,wD:13.15,(8.97,-1.93,;8.97,-.38,;7.63,.38,;6.3,-.38,;4.97,.38,;4.97,1.93,;6.3,2.69,;7.63,1.93,;8.97,2.69,;10.3,1.93,;11.63,2.69,;12.97,1.92,;14.46,2.32,;14.85,.84,;16.34,1.23,;15.25,-.65,;13.37,.44,;3.63,-.38,;3.63,-1.93,;2.3,-2.69,;.96,-1.93,;.96,-.38,;2.3,.38,;2.3,1.93,;-.37,.38,;-.37,1.93,;-1.7,2.69,;-3.04,1.93,;-3.04,.38,;-1.7,-.38,;-1.7,-1.93,;-4.37,-.38,;-4.37,-1.93,;-5.7,-2.69,;-7.04,-1.93,;-8.37,-2.69,;-9.7,-1.93,;-11.04,-2.69,;-12.37,-1.93,;-12.53,-.39,;-14.04,-.07,;-14.81,-1.41,;-16.34,-1.57,;-13.78,-2.55,;-7.04,-.38,;-8.37,.38,;-8.37,1.93,;-5.7,.38,)|
Show InChI InChI=1S/C35H39Cl2N7O4/c1-35(46)12-20(13-35)14-38-16-28-33(47-2)43-26(18-40-28)24-8-4-6-22(31(24)36)23-7-5-9-25(32(23)37)27-19-41-29(34(44-27)48-3)17-39-15-21-10-11-30(45)42-21/h4-9,18-21,38-39,46H,10-17H2,1-3H3,(H,42,45)/t20-,21-,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))		BDBM452466
PNG
(US10710986, Example 607 | US11555029, No. 607)
Show SMILES COc1nc(cnc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CNC(=O)C4)cn(C)c2n1
Show InChI InChI=1S/C38H37Cl2N9O3/c1-47-13-22(14-48-18-37(19-48)9-30(50)43-16-37)34-35(47)45-27(12-42-34)25-7-3-5-23(32(25)39)24-6-4-8-26(33(24)40)28-11-41-29(36(46-28)52-2)15-49-20-38(21-49)10-31(51)44-17-38/h3-8,11-13H,9-10,14-21H2,1-2H3,(H,43,50)(H,44,51)
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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))		BDBM452476
PNG
(US10710986, Example 617 | US11555029, No. 617)
Show SMILES COc1nc(ccc1CN1CC2(C1)CN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1F)-c1cnc(CN2CC3(C2)CN(C3)C(C)=O)c(OC)n1
Show InChI InChI=1S/C39H41ClFN7O4/c1-24(49)47-20-38(21-47)16-45(17-38)14-26-11-12-31(43-36(26)51-3)29-9-5-7-27(34(29)40)28-8-6-10-30(35(28)41)32-13-42-33(37(44-32)52-4)15-46-18-39(19-46)22-48(23-39)25(2)50/h5-13H,14-23H2,1-4H3
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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))		BDBM451987
PNG
(US10710986, Example 127 | US11555029, No. 127)
Show SMILES COc1nc(cnc1C1=NCC(C)(C)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCC(C)(C)N2)c(OC)n1 |t:9,37|
Show InChI InChI=1S/C32H32Cl2N8O2/c1-31(2)15-37-27(41-31)25-29(43-5)39-21(13-35-25)19-11-7-9-17(23(19)33)18-10-8-12-20(24(18)34)22-14-36-26(30(40-22)44-6)28-38-16-32(3,4)42-28/h7-14H,15-16H2,1-6H3,(H,37,41)(H,38,42)
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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))		BDBM452097
PNG
(US10710986, Example 236 | US11555029, No. 236)
Show SMILES COc1nc(cnc1CNCCC1CCCO1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C35H39Cl2N7O4/c1-46-34-29(17-38-14-13-22-6-5-15-48-22)40-19-27(43-34)25-9-3-7-23(32(25)36)24-8-4-10-26(33(24)37)28-20-41-30(35(44-28)47-2)18-39-16-21-11-12-31(45)42-21/h3-4,7-10,19-22,38-39H,5-6,11-18H2,1-2H3,(H,42,45)/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))		BDBM452370
PNG
(US10710986, Example 513 | US11555029, No. 513)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](C2)C(O)=O)c(OC)n1 |r|
Show InChI InChI=1S/C35H36Cl2N6O5/c1-47-33-20(15-38-16-22-10-12-30(44)40-22)9-11-27(41-33)25-7-3-5-23(31(25)36)24-6-4-8-26(32(24)37)28-17-39-29(34(42-28)48-2)19-43-14-13-21(18-43)35(45)46/h3-9,11,17,21-22,38H,10,12-16,18-19H2,1-2H3,(H,40,44)(H,45,46)/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))		BDBM452373
PNG
(US10710986, Example 516 | US11555029, No. 516)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@H](O)[C@@H]2C)c(OC)n1 |r|
Show InChI InChI=1S/C34H37Cl2N7O4/c1-19-29(44)12-13-43(19)18-28-34(47-3)42-26(17-39-28)24-9-5-7-22(32(24)36)21-6-4-8-23(31(21)35)25-16-38-27(33(41-25)46-2)15-37-14-20-10-11-30(45)40-20/h4-9,16-17,19-20,29,37,44H,10-15,18H2,1-3H3,(H,40,45)/t19-,20-,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))		BDBM452436
PNG
(US10710986, Example 577 | US11555029, No. 577)
Show SMILES COc1nc(cnc1CNCCCS(N)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C32H36Cl2N8O5S/c1-46-31-26(15-36-12-5-13-48(35,44)45)38-17-24(41-31)22-8-3-6-20(29(22)33)21-7-4-9-23(30(21)34)25-18-39-27(32(42-25)47-2)16-37-14-19-10-11-28(43)40-19/h3-4,6-9,17-19,36-37H,5,10-16H2,1-2H3,(H,40,43)(H2,35,44,45)/t19-/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))		BDBM452406
PNG
(US10710986, Example 547 | US11555029, No. 547)
Show SMILES COc1nc(cnc1CNCC1CN(C1)S(C)(=O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C34H38Cl2N8O5S/c1-48-33-28(14-37-12-20-18-44(19-20)50(3,46)47)39-16-26(42-33)24-8-4-6-22(31(24)35)23-7-5-9-25(32(23)36)27-17-40-29(34(43-27)49-2)15-38-13-21-10-11-30(45)41-21/h4-9,16-17,20-21,37-38H,10-15,18-19H2,1-3H3,(H,41,45)/t21-/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))		BDBM452431
PNG
(US10710986, Example 572 | US11555029, No. 572)
Show SMILES CNS(=O)(=O)CCNCc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r|
Show InChI InChI=1S/C32H36Cl2N8O5S/c1-35-48(44,45)13-12-36-15-26-31(46-2)41-24(17-38-26)22-8-4-6-20(29(22)33)21-7-5-9-23(30(21)34)25-18-39-27(32(42-25)47-3)16-37-14-19-10-11-28(43)40-19/h4-9,17-19,35-37H,10-16H2,1-3H3,(H,40,43)/t19-/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))		BDBM452514
PNG
(US10710986, Example 655 | US11555029, No. 655)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CN2C[C@@H]3CCC[C@@]3(C2)C(O)=O)c(OC)n1 |r|
Show InChI InChI=1S/C39H42Cl2N6O5/c1-22-15-30(45-36(51-2)29(22)20-47-19-23-7-6-14-39(23,21-47)38(49)50)27-10-4-8-25(34(27)40)26-9-5-11-28(35(26)41)31-18-43-32(37(46-31)52-3)17-42-16-24-12-13-33(48)44-24/h4-5,8-11,15,18,23-24,42H,6-7,12-14,16-17,19-21H2,1-3H3,(H,44,48)(H,49,50)/t23-,24-,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))		BDBM451994
PNG
(US10710986, Example 134 | US11555029, No. 134)
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-/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))		BDBM452340
PNG
(US10710986, Example 478 | US11555029, No. 478)
Show SMILES COc1nc(cnc1CN1CC(C1)C(C)(C)O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)C(C)(C)O)c(OC)n1
Show InChI InChI=1S/C36H42Cl2N6O4/c1-35(2,45)21-15-43(16-21)19-29-33(47-5)41-27(13-39-29)25-11-7-9-23(31(25)37)24-10-8-12-26(32(24)38)28-14-40-30(34(42-28)48-6)20-44-17-22(18-44)36(3,4)46/h7-14,21-22,45-46H,15-20H2,1-6H3
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US Patent
n/an/a 0.0640n/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))		BDBM452364
PNG
(US10710986, Example 502 | US11555029, No. 502)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](C2)C(C)(C)O)c(OC)n1 |r|
Show InChI InChI=1S/C36H41Cl2N7O4/c1-36(2,47)21-13-14-45(19-21)20-30-35(49-4)44-28(18-41-30)26-10-6-8-24(33(26)38)23-7-5-9-25(32(23)37)27-17-40-29(34(43-27)48-3)16-39-15-22-11-12-31(46)42-22/h5-10,17-18,21-22,39,47H,11-16,19-20H2,1-4H3,(H,42,46)/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))		BDBM452380
PNG
(US10710986, Example 522 | US11555029, No. 522)
Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN(CCO)CCO)c(OC)n1 |r|
Show InChI InChI=1S/C33H37Cl2N7O5/c1-46-32-27(16-36-15-20-9-10-29(45)39-20)37-17-25(40-32)23-7-3-5-21(30(23)34)22-6-4-8-24(31(22)35)26-18-38-28(33(41-26)47-2)19-42(11-13-43)12-14-44/h3-8,17-18,20,36,43-44H,9-16,19H2,1-2H3,(H,39,45)/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))		BDBM452396
PNG
(US10710986, Example 537 | US11555029, No. 537)
Show SMILES COc1nc(cnc1CN1CCC2(CCC(=O)N2)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CCC3(CCC(=O)N3)C2)c(OC)n1
Show InChI InChI=1S/C38H40Cl2N8O4/c1-51-35-29(19-47-15-13-37(21-47)11-9-31(49)45-37)41-17-27(43-35)25-7-3-5-23(33(25)39)24-6-4-8-26(34(24)40)28-18-42-30(36(44-28)52-2)20-48-16-14-38(22-48)12-10-32(50)46-38/h3-8,17-18H,9-16,19-22H2,1-2H3,(H,45,49)(H,46,50)
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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%