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Compile Data Set for Download or QSAR

Found 2448 hits with Last Name = 'mcmurtrie' and Initial = 'dj'   
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 protein 1


(Homo sapiens)
BDBM482431
PNG
(US10919852, Compound TABLE 1.130 | US11708326, Com...)
Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCCCC3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C41H44Cl2N4O6/c1-41(26-48,40(49)50)46-24-29-19-34(42)38(20-37(29)52-25-28-18-27(21-44)22-45-23-28)53-35-13-12-31-30(8-5-9-32(31)35)33-10-6-11-36(39(33)43)51-17-7-16-47-14-3-2-4-15-47/h5-6,8-11,18-20,22-23,35,46,48H,2-4,7,12-17,24-26H2,1H3,(H,49,50)/t35-,41?/m0/s1
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n/an/a<5n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482432
PNG
(US10919852, Compound TABLE 1.131 | US11708326, Com...)
Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCOCC3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C40H42Cl2N4O7/c1-40(25-47,39(48)49)45-23-28-18-33(41)37(19-36(28)52-24-27-17-26(20-43)21-44-22-27)53-34-10-9-30-29(5-2-6-31(30)34)32-7-3-8-35(38(32)42)51-14-4-11-46-12-15-50-16-13-46/h2-3,5-8,17-19,21-22,34,45,47H,4,9-16,23-25H2,1H3,(H,48,49)/t34-,40?/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482433
PNG
(US10919852, Compound TABLE 1.132)
Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(Cl)c1)C(O)=O |r|
Show InChI InChI=1S/C38H40Cl3N3O7/c1-38(22-45,37(47)48)43-17-24-14-31(40)35(15-34(24)50-21-23-13-25(39)18-42-16-23)51-32-10-9-28-27(5-2-6-29(28)32)30-7-3-8-33(36(30)41)49-12-4-11-44-19-26(46)20-44/h2-3,5-8,13-16,18,26,32,43,45-46H,4,9-12,17,19-22H2,1H3,(H,47,48)/t32-,38?/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482434
PNG
(US10919852, Compound TABLE 1.133 | US11708326, Com...)
Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(F)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C39H39Cl2FN4O6/c1-39(23-47,38(48)49)45-19-26-14-32(40)36(15-35(26)51-22-25-13-24(16-43)17-44-18-25)52-33-10-9-29-28(5-2-6-30(29)33)31-7-3-8-34(37(31)41)50-12-4-11-46-20-27(42)21-46/h2-3,5-8,13-15,17-18,27,33,45,47H,4,9-12,19-23H2,1H3,(H,48,49)/t33-,39?/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482435
PNG
(US10919852, Compound TABLE 1.134)
Show SMILES C[C@@](CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cc(F)cc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C39H39Cl2FN4O7/c1-39(22-47,38(49)50)45-18-25-11-32(40)36(14-35(25)52-21-24-10-23(15-43)16-44-17-24)53-33-7-6-28-30(12-26(42)13-31(28)33)29-4-2-5-34(37(29)41)51-9-3-8-46-19-27(48)20-46/h2,4-5,10-14,16-17,27,33,45,47-48H,3,6-9,18-22H2,1H3,(H,49,50)/t33-,39-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482436
PNG
(US10919852, Compound TABLE 1.135 | US11708326, Com...)
Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(O)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C42H44Cl2N4O7/c1-41(25-49,40(51)52)47-21-28-14-34(43)38(15-37(28)54-22-27-13-26(18-45)19-46-20-27)55-35-10-9-31-30(5-2-6-32(31)35)33-7-3-8-36(39(33)44)53-12-4-11-48-23-42(24-48)16-29(50)17-42/h2-3,5-8,13-15,19-20,29,35,47,49-50H,4,9-12,16-17,21-25H2,1H3,(H,51,52)/t35-,41?/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482437
PNG
(US10919852, Compound TABLE 1.136 | US11708326, Com...)
Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C42H43Cl2FN4O6/c1-41(25-50,40(51)52)48-21-28-14-34(43)38(15-37(28)54-22-27-13-26(18-46)19-47-20-27)55-35-10-9-31-30(5-2-6-32(31)35)33-7-3-8-36(39(33)44)53-12-4-11-49-23-42(24-49)16-29(45)17-42/h2-3,5-8,13-15,19-20,29,35,48,50H,4,9-12,16-17,21-25H2,1H3,(H,51,52)/t35-,41?/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482438
PNG
(US10919852, Compound TABLE 1.137 | US11708326, Com...)
Show SMILES OC1CN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN3CCCC4(C3)NC(=O)NC4=O)cc2Cl)C1 |r|
Show InChI InChI=1S/C42H42Cl2N6O6/c43-34-16-28(21-50-12-3-11-42(25-50)40(52)47-41(53)48-42)37(55-24-27-15-26(18-45)19-46-20-27)17-38(34)56-35-10-9-31-30(5-1-6-32(31)35)33-7-2-8-36(39(33)44)54-14-4-13-49-22-29(51)23-49/h1-2,5-8,15-17,19-20,29,35,51H,3-4,9-14,21-25H2,(H2,47,48,52,53)/t35-,42?/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482440
PNG
(US10919852, Compound TABLE 1.139 | US11708326, Com...)
Show SMILES OC1CN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN[C@@H]3CCCC[C@@H]3O)cc2Cl)C1 |r|
Show InChI InChI=1S/C41H44Cl2N4O5/c42-34-17-28(22-46-35-9-1-2-10-36(35)49)39(51-25-27-16-26(19-44)20-45-21-27)18-40(34)52-37-13-12-31-30(6-3-7-32(31)37)33-8-4-11-38(41(33)43)50-15-5-14-47-23-29(48)24-47/h3-4,6-8,11,16-18,20-21,29,35-37,46,48-49H,1-2,5,9-10,12-15,22-25H2/t35-,36+,37+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482441
PNG
(US10919852, Compound TABLE 1.140)
Show SMILES FC1CCN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNC[C@@H]3CCC(=O)N3)cc2Cl)CC1 |r|
Show InChI InChI=1S/C42H44Cl2FN5O4/c43-36-19-29(24-48-25-31-8-11-41(51)49-31)39(53-26-28-18-27(21-46)22-47-23-28)20-40(36)54-37-10-9-33-32(4-1-5-34(33)37)35-6-2-7-38(42(35)44)52-17-3-14-50-15-12-30(45)13-16-50/h1-2,4-7,18-20,22-23,30-31,37,48H,3,8-17,24-26H2,(H,49,51)/t31-,37-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482442
PNG
(US10919852, Compound TABLE 1.141 | US11708326, Com...)
Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(=O)NS(C)(=O)=O |r|
Show InChI InChI=1S/C40H43Cl2N5O8S/c1-24(48)39(40(50)46-56(2,51)52)45-20-27-15-33(41)37(16-36(27)54-23-26-14-25(17-43)18-44-19-26)55-34-11-10-30-29(6-3-7-31(30)34)32-8-4-9-35(38(32)42)53-13-5-12-47-21-28(49)22-47/h3-4,6-9,14-16,18-19,24,28,34,39,45,48-49H,5,10-13,20-23H2,1-2H3,(H,46,50)/t24-,34+,39+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482443
PNG
(US10919852, Compound TABLE 1.142 | US11708326, Com...)
Show SMILES OC1CN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN3CC(O)C3)cc2Cl)C1 |r|
Show InChI InChI=1S/C38H38Cl2N4O5/c39-33-13-26(18-44-21-28(46)22-44)36(48-23-25-12-24(15-41)16-42-17-25)14-37(33)49-34-9-8-30-29(4-1-5-31(30)34)32-6-2-7-35(38(32)40)47-11-3-10-43-19-27(45)20-43/h1-2,4-7,12-14,16-17,27-28,34,45-46H,3,8-11,18-23H2/t34-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482444
PNG
(US10919852, Compound TABLE 1.143 | US11708326, Com...)
Show SMILES OC1CN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN3CCC(O)CC3)cc2Cl)C1 |r|
Show InChI InChI=1S/C40H42Cl2N4O5/c41-35-17-28(22-45-13-10-29(47)11-14-45)38(50-25-27-16-26(19-43)20-44-21-27)18-39(35)51-36-9-8-32-31(4-1-5-33(32)36)34-6-2-7-37(40(34)42)49-15-3-12-46-23-30(48)24-46/h1-2,4-7,16-18,20-21,29-30,36,47-48H,3,8-15,22-25H2/t36-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482445
PNG
(US10919852, Compound TABLE 1.144 | US11708326, Com...)
Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(N)=O |r|
Show InChI InChI=1S/C39H41Cl2N5O6/c1-23(47)38(39(43)49)45-19-26-14-32(40)36(15-35(26)51-22-25-13-24(16-42)17-44-18-25)52-33-10-9-29-28(5-2-6-30(29)33)31-7-3-8-34(37(31)41)50-12-4-11-46-20-27(48)21-46/h2-3,5-8,13-15,17-18,23,27,33,38,45,47-48H,4,9-12,19-22H2,1H3,(H2,43,49)/t23-,33+,38+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482446
PNG
(US10919852, Compound TABLE 1.145 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C43H47ClFN5O4/c1-28-34(5-3-8-39(28)52-18-4-15-50-16-13-32(45)14-17-50)35-6-2-7-37-36(35)10-11-40(37)54-42-21-41(53-27-30-19-29(22-46)23-47-24-30)31(20-38(42)44)25-48-26-33-9-12-43(51)49-33/h2-3,5-8,19-21,23-24,32-33,40,48H,4,9-18,25-27H2,1H3,(H,49,51)/t33-,40-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482447
PNG
(US10919852, Compound TABLE 1.146 | US11708326, Com...)
Show SMILES OC1CN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN3CC[C@@H](O)C3)cc2Cl)C1 |r|
Show InChI InChI=1S/C39H40Cl2N4O5/c40-34-15-27(20-45-12-10-28(46)21-45)37(49-24-26-14-25(17-42)18-43-19-26)16-38(34)50-35-9-8-31-30(4-1-5-32(31)35)33-6-2-7-36(39(33)41)48-13-3-11-44-22-29(47)23-44/h1-2,4-7,14-16,18-19,28-29,35,46-47H,3,8-13,20-24H2/t28-,35+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482448
PNG
(US10919852, Compound TABLE 1.147 | US11708326, Com...)
Show SMILES OC1CN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNC[C@@H]3CCC(=O)N3)cc2Cl)C1 |r|
Show InChI InChI=1S/C40H41Cl2N5O5/c41-34-15-27(20-45-21-28-8-11-39(49)46-28)37(51-24-26-14-25(17-43)18-44-19-26)16-38(34)52-35-10-9-31-30(4-1-5-32(31)35)33-6-2-7-36(40(33)42)50-13-3-12-47-22-29(48)23-47/h1-2,4-7,14-16,18-19,28-29,35,45,48H,3,8-13,20-24H2,(H,46,49)/t28-,35-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482449
PNG
(US10919852, Compound TABLE 1.148 | US11708326, Com...)
Show SMILES OC1CN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CN3CC4(CC(O)C4)C3)cc2Cl)C1 |r|
Show InChI InChI=1S/C41H42Cl2N4O5/c42-35-13-28(20-47-24-41(25-47)15-29(48)16-41)38(51-23-27-12-26(17-44)18-45-19-27)14-39(35)52-36-9-8-32-31(4-1-5-33(32)36)34-6-2-7-37(40(34)43)50-11-3-10-46-21-30(49)22-46/h1-2,4-7,12-14,18-19,29-30,36,48-49H,3,8-11,15-16,20-25H2/t36-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482501
PNG
(US10919852, Compound TABLE 1.200 | US11708326, Com...)
Show SMILES OC1CC2(C1)CN(CCCOc1cccc(c1Cl)-c1cccc3[C@H](CCc13)Oc1cc(OCc3cncc(c3)C#N)c(CN[C@@H]3CCC[C@@H]3O)cc1Cl)C2 |r|
Show InChI InChI=1S/C43H46Cl2N4O5/c44-35-16-29(23-48-36-8-3-9-37(36)51)40(53-24-28-15-27(20-46)21-47-22-28)17-41(35)54-38-12-11-32-31(5-1-6-33(32)38)34-7-2-10-39(42(34)45)52-14-4-13-49-25-43(26-49)18-30(50)19-43/h1-2,5-7,10,15-17,21-22,30,36-38,48,50-51H,3-4,8-9,11-14,18-19,23-26H2/t36-,37+,38+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482502
PNG
(US10919852, Compound TABLE 1.201 | US11708326, Com...)
Show SMILES OC1CC2(C1)CN(CCCOc1cccc(c1Cl)-c1cccc3[C@H](CCc13)Oc1cc(OCc3cncc(c3)C#N)c(CN[C@@H]3CCC[C@H]3O)cc1Cl)C2 |r|
Show InChI InChI=1S/C43H46Cl2N4O5/c44-35-16-29(23-48-36-8-3-9-37(36)51)40(53-24-28-15-27(20-46)21-47-22-28)17-41(35)54-38-12-11-32-31(5-1-6-33(32)38)34-7-2-10-39(42(34)45)52-14-4-13-49-25-43(26-49)18-30(50)19-43/h1-2,5-7,10,15-17,21-22,30,36-38,48,50-51H,3-4,8-9,11-14,18-19,23-26H2/t36-,37-,38+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482503
PNG
(US10919852, Compound TABLE 1.202 | US11708326, Com...)
Show SMILES OC1CC2(C1)CN(CCCOc1cccc(c1Cl)-c1cccc3[C@H](CCc13)Oc1cc(OCc3cncc(c3)C#N)c(CN[C@H]3CCC[C@H]3O)cc1Cl)C2 |r|
Show InChI InChI=1S/C43H46Cl2N4O5/c44-35-16-29(23-48-36-8-3-9-37(36)51)40(53-24-28-15-27(20-46)21-47-22-28)17-41(35)54-38-12-11-32-31(5-1-6-33(32)38)34-7-2-10-39(42(34)45)52-14-4-13-49-25-43(26-49)18-30(50)19-43/h1-2,5-7,10,15-17,21-22,30,36-38,48,50-51H,3-4,8-9,11-14,18-19,23-26H2/t36-,37+,38-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482506
PNG
(US10919852, Compound TABLE 1.205 | US10919852, Com...)
Show SMILES FC1CCN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNC3CCC(=O)NC3)cc2Cl)CC1 |r|
Show InChI InChI=1S/C42H44Cl2FN5O4/c43-36-19-29(24-48-31-8-11-41(51)49-25-31)39(53-26-28-18-27(21-46)22-47-23-28)20-40(36)54-37-10-9-33-32(4-1-5-34(33)37)35-6-2-7-38(42(35)44)52-17-3-14-50-15-12-30(45)13-16-50/h1-2,4-7,18-20,22-23,30-31,37,48H,3,8-17,24-26H2,(H,49,51)/t31?,37-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482507
PNG
(US10919852, Compound TABLE 1.206 | US11708326, Com...)
Show SMILES OC1CC2(C1)CN(CCCOc1cccc(c1Cl)-c1cccc3[C@H](CCc13)Oc1cc(OCc3cncc(c3)C#N)c(CN[C@H]3CCC[C@@H]3O)cc1Cl)C2 |r|
Show InChI InChI=1S/C43H46Cl2N4O5/c44-35-16-29(23-48-36-8-3-9-37(36)51)40(53-24-28-15-27(20-46)21-47-22-28)17-41(35)54-38-12-11-32-31(5-1-6-33(32)38)34-7-2-10-39(42(34)45)52-14-4-13-49-25-43(26-49)18-30(50)19-43/h1-2,5-7,10,15-17,21-22,30,36-38,48,50-51H,3-4,8-9,11-14,18-19,23-26H2/t36-,37-,38-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482506
PNG
(US10919852, Compound TABLE 1.205 | US10919852, Com...)
Show SMILES FC1CCN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNC3CCC(=O)NC3)cc2Cl)CC1 |r|
Show InChI InChI=1S/C42H44Cl2FN5O4/c43-36-19-29(24-48-31-8-11-41(51)49-25-31)39(53-26-28-18-27(21-46)22-47-23-28)20-40(36)54-37-10-9-33-32(4-1-5-34(33)37)35-6-2-7-38(42(35)44)52-17-3-14-50-15-12-30(45)13-16-50/h1-2,4-7,18-20,22-23,30-31,37,48H,3,8-17,24-26H2,(H,49,51)/t31?,37-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482511
PNG
(US10919852, Compound TABLE 1.210 | US11708326, Com...)
Show SMILES FC1CCN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cc(cc(c3)C#N)C#N)c(CNC[C@H]3CCC(=O)N3)cc2Cl)CC1 |r|
Show InChI InChI=1S/C44H44Cl2FN5O4/c45-38-21-31(25-50-26-33-8-11-43(53)51-33)41(55-27-30-19-28(23-48)18-29(20-30)24-49)22-42(38)56-39-10-9-35-34(4-1-5-36(35)39)37-6-2-7-40(44(37)46)54-17-3-14-52-15-12-32(47)13-16-52/h1-2,4-7,18-22,32-33,39,50H,3,8-17,25-27H2,(H,51,53)/t33-,39+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482514
PNG
(US10919852, Compound TABLE 1.213 | US11708326, Com...)
Show SMILES O[C@H]1CCC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C43H45Cl2FN4O4/c44-35-16-29(23-49-36-8-3-9-37(36)51)40(53-24-28-15-27(20-47)21-48-22-28)17-41(35)54-38-12-11-32-31(5-1-6-33(32)38)34-7-2-10-39(42(34)45)52-14-4-13-50-25-43(26-50)18-30(46)19-43/h1-2,5-7,10,15-17,21-22,30,36-38,49,51H,3-4,8-9,11-14,18-19,23-26H2/t36-,37+,38+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482515
PNG
(US10919852, Compound TABLE 1.214 | US11708326, Com...)
Show SMILES O[C@@H]1CCC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C43H45Cl2FN4O4/c44-35-16-29(23-49-36-8-3-9-37(36)51)40(53-24-28-15-27(20-47)21-48-22-28)17-41(35)54-38-12-11-32-31(5-1-6-33(32)38)34-7-2-10-39(42(34)45)52-14-4-13-50-25-43(26-50)18-30(46)19-43/h1-2,5-7,10,15-17,21-22,30,36-38,49,51H,3-4,8-9,11-14,18-19,23-26H2/t36-,37-,38+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482517
PNG
(US10919852, Compound TABLE 1.216 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CCCCC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C45H48ClN5O4/c1-30-36(8-6-11-41(30)53-19-7-18-51-16-3-2-4-17-51)37-9-5-10-39-38(37)13-14-42(39)55-44-24-43(54-29-33-21-31(25-47)20-32(22-33)26-48)34(23-40(44)46)27-49-28-35-12-15-45(52)50-35/h5-6,8-11,20-24,35,42,49H,2-4,7,12-19,27-29H2,1H3,(H,50,52)/t35-,42+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482546
PNG
(US10919852, Compound TABLE 1.245 | US11708326, Com...)
Show SMILES O[C@H]1CCC[C@@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(C3)CC(F)(F)C4)c2Cl)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C43H44Cl2F2N4O4/c44-34-16-29(21-50-35-8-3-9-36(35)52)39(54-22-28-15-27(18-48)19-49-20-28)17-40(34)55-37-12-11-31-30(5-1-6-32(31)37)33-7-2-10-38(41(33)45)53-14-4-13-51-25-42(26-51)23-43(46,47)24-42/h1-2,5-7,10,15-17,19-20,35-37,50,52H,3-4,8-9,11-14,21-26H2/t35-,36-,37-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482548
PNG
(US10919852, Compound TABLE 1.247 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CC3(CCC3)C2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C46H48ClN5O4/c1-30-36(6-3-9-41(30)54-17-5-16-52-28-46(29-52)14-4-15-46)37-7-2-8-39-38(37)11-12-42(39)56-44-22-43(55-27-33-19-31(23-48)18-32(20-33)24-49)34(21-40(44)47)25-50-26-35-10-13-45(53)51-35/h2-3,6-9,18-22,35,42,50H,4-5,10-17,25-29H2,1H3,(H,51,53)/t35-,42-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482549
PNG
(US10919852, Compound TABLE 1.248 | US11708326, Com...)
Show SMILES CC1CCN(CCCOc2cccc(c2C)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cc(cc(c3)C#N)C#N)c(CNC[C@H]3CCC(=O)N3)cc2Cl)CC1 |r|
Show InChI InChI=1S/C46H50ClN5O4/c1-30-14-17-52(18-15-30)16-5-19-54-42-9-4-6-37(31(42)2)38-7-3-8-40-39(38)11-12-43(40)56-45-24-44(55-29-34-21-32(25-48)20-33(22-34)26-49)35(23-41(45)47)27-50-28-36-10-13-46(53)51-36/h3-4,6-9,20-24,30,36,43,50H,5,10-19,27-29H2,1-2H3,(H,51,53)/t36-,43+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482550
PNG
(US10919852, Compound TABLE 1.249 | US11708326, Com...)
Show SMILES CC1CCN(CCCOc2cccc(c2C)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cc(cc(c3)C#N)C#N)c(CNC[C@@H]3CCC(=O)N3)cc2Cl)CC1 |r|
Show InChI InChI=1S/C46H50ClN5O4/c1-30-14-17-52(18-15-30)16-5-19-54-42-9-4-6-37(31(42)2)38-7-3-8-40-39(38)11-12-43(40)56-45-24-44(55-29-34-21-32(25-48)20-33(22-34)26-49)35(23-41(45)47)27-50-28-36-10-13-46(53)51-36/h3-4,6-9,20-24,30,36,43,50H,5,10-19,27-29H2,1-2H3,(H,51,53)/t36-,43-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482551
PNG
(US10919852, Compound TABLE 1.250 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CC3(CC(O)C3)C2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C46H48ClN5O5/c1-29-36(5-3-8-41(29)55-14-4-13-52-27-46(28-52)20-35(53)21-46)37-6-2-7-39-38(37)10-11-42(39)57-44-19-43(56-26-32-16-30(22-48)15-31(17-32)23-49)33(18-40(44)47)24-50-25-34-9-12-45(54)51-34/h2-3,5-8,15-19,34-35,42,50,53H,4,9-14,20-21,24-28H2,1H3,(H,51,54)/t34-,42+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482711
PNG
(US10919852, Compound TABLE 1.410 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNCCS(O)(=O)=O)cc1Cl |r|
Show InChI InChI=1S/C40H44ClFN4O6S/c1-27-32(5-3-8-37(27)50-17-4-14-46-15-11-31(42)12-16-46)33-6-2-7-35-34(33)9-10-38(35)52-40-21-39(51-26-29-19-28(22-43)23-45-24-29)30(20-36(40)41)25-44-13-18-53(47,48)49/h2-3,5-8,19-21,23-24,31,38,44H,4,9-18,25-26H2,1H3,(H,47,48,49)/t38-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482554
PNG
(US10919852, Compound TABLE 1.253 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CCC(C)(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C44H49ClFN5O4/c1-29-34(6-4-9-39(29)53-19-5-16-51-17-14-44(2,46)15-18-51)35-7-3-8-37-36(35)11-12-40(37)55-42-22-41(54-28-31-20-30(23-47)24-48-25-31)32(21-38(42)45)26-49-27-33-10-13-43(52)50-33/h3-4,6-9,20-22,24-25,33,40,49H,5,10-19,26-28H2,1-2H3,(H,50,52)/t33-,40-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482555
PNG
(US10919852, Compound TABLE 1.254 | US11708326, Com...)
Show SMILES O[C@@H]1CC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(F)CC3)c2Cl)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C41H43Cl2FN4O4/c42-34-19-28(24-47-35-9-10-36(35)49)39(51-25-27-18-26(21-45)22-46-23-27)20-40(34)52-37-11-8-31-30(4-1-5-32(31)37)33-6-2-7-38(41(33)43)50-17-3-14-48-15-12-29(44)13-16-48/h1-2,4-7,18-20,22-23,29,35-37,47,49H,3,8-17,24-25H2/t35-,36-,37+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482556
PNG
(US10919852, Compound TABLE 1.255 | US10919852, Com...)
Show SMILES Cc1c(OCCCN2CCC(C)(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC2CCC(=O)NC2)cc1Cl |r|
Show InChI InChI=1S/C44H49ClFN5O4/c1-29-34(6-4-9-39(29)53-19-5-16-51-17-14-44(2,46)15-18-51)35-7-3-8-37-36(35)11-12-40(37)55-42-22-41(54-28-31-20-30(23-47)24-48-25-31)32(21-38(42)45)26-49-33-10-13-43(52)50-27-33/h3-4,6-9,20-22,24-25,33,40,49H,5,10-19,26-28H2,1-2H3,(H,50,52)/t33?,40-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482558
PNG
(US10919852, Compound TABLE 1.257 | US11708326, Com...)
Show SMILES O[C@H]1CC[C@@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C42H43Cl2FN4O4/c43-34-15-28(22-48-35-9-10-36(35)50)39(52-23-27-14-26(19-46)20-47-21-27)16-40(34)53-37-11-8-31-30(4-1-5-32(31)37)33-6-2-7-38(41(33)44)51-13-3-12-49-24-42(25-49)17-29(45)18-42/h1-2,4-7,14-16,20-21,29,35-37,48,50H,3,8-13,17-18,22-25H2/t35-,36-,37-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482559
PNG
(US10919852, Compound TABLE 1.258 | US11708326, Com...)
Show SMILES O[C@@H]1CC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C42H43Cl2FN4O4/c43-34-15-28(22-48-35-9-10-36(35)50)39(52-23-27-14-26(19-46)20-47-21-27)16-40(34)53-37-11-8-31-30(4-1-5-32(31)37)33-6-2-7-38(41(33)44)51-13-3-12-49-24-42(25-49)17-29(45)18-42/h1-2,4-7,14-16,20-21,29,35-37,48,50H,3,8-13,17-18,22-25H2/t35-,36-,37+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482560
PNG
(US10919852, Compound TABLE 1.259 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CC3(CC(F)C3)C2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@H]2CCC(=O)NC2)cc1Cl |r|
Show InChI InChI=1S/C46H47ClFN5O4/c1-29-36(5-3-8-41(29)55-14-4-13-53-27-46(28-53)20-34(48)21-46)37-6-2-7-39-38(37)10-11-42(39)57-44-19-43(56-26-32-16-30(22-49)15-31(17-32)23-50)33(18-40(44)47)24-51-35-9-12-45(54)52-25-35/h2-3,5-8,15-19,34-35,42,51H,4,9-14,20-21,24-28H2,1H3,(H,52,54)/t35-,42-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482561
PNG
(US10919852, Compound TABLE 1.260 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@@H]2CCC(=O)NC2)cc1Cl |r|
Show InChI InChI=1S/C45H47ClFN5O4/c1-29-36(5-3-8-41(29)54-18-4-15-52-16-13-34(47)14-17-52)37-6-2-7-39-38(37)10-11-42(39)56-44-23-43(55-28-32-20-30(24-48)19-31(21-32)25-49)33(22-40(44)46)26-50-35-9-12-45(53)51-27-35/h2-3,5-8,19-23,34-35,42,50H,4,9-18,26-28H2,1H3,(H,51,53)/t35-,42+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482563
PNG
(US10919852, Compound TABLE 1.262 | US11708326, Com...)
Show SMILES O[C@@H]1CC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(C3)CC(F)(F)C4)c2Cl)cc1OCc1cncc(c1)C#N |r|
Show InChI InChI=1S/C42H42Cl2F2N4O4/c43-33-15-28(20-49-34-9-10-35(34)51)38(53-21-27-14-26(17-47)18-48-19-27)16-39(33)54-36-11-8-30-29(4-1-5-31(30)36)32-6-2-7-37(40(32)44)52-13-3-12-50-24-41(25-50)22-42(45,46)23-41/h1-2,4-7,14-16,18-19,34-36,49,51H,3,8-13,20-25H2/t34-,35-,36+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482568
PNG
(US10919852, Compound TABLE 1.267 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CCCCC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C43H48ClN5O4/c1-29-34(8-6-11-39(29)51-19-7-18-49-16-3-2-4-17-49)35-9-5-10-37-36(35)13-14-40(37)53-42-22-41(52-28-31-20-30(23-45)24-46-25-31)32(21-38(42)44)26-47-27-33-12-15-43(50)48-33/h5-6,8-11,20-22,24-25,33,40,47H,2-4,7,12-19,26-28H2,1H3,(H,48,50)/t33-,40+/m1/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482569
PNG
(US10919852, Compound TABLE 1.268 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CCCCC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C43H48ClN5O4/c1-29-34(8-6-11-39(29)51-19-7-18-49-16-3-2-4-17-49)35-9-5-10-37-36(35)13-14-40(37)53-42-22-41(52-28-31-20-30(23-45)24-46-25-31)32(21-38(42)44)26-47-27-33-12-15-43(50)48-33/h5-6,8-11,20-22,24-25,33,40,47H,2-4,7,12-19,26-28H2,1H3,(H,48,50)/t33-,40-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482570
PNG
(US10919852, Compound TABLE 1.269 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CCC(C)(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C46H50ClN5O5/c1-30-36(6-4-9-41(30)55-19-5-16-52-17-14-46(2,54)15-18-52)37-7-3-8-39-38(37)11-12-42(39)57-44-24-43(56-29-33-21-31(25-48)20-32(22-33)26-49)34(23-40(44)47)27-50-28-35-10-13-45(53)51-35/h3-4,6-9,20-24,35,42,50,54H,5,10-19,27-29H2,1-2H3,(H,51,53)/t35-,42-/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482571
PNG
(US10919852, Compound TABLE 1.270 | US11708326, Com...)
Show SMILES Clc1cc(CNC[C@@H]2CCC(=O)N2)c(OCc2cncc(c2)C#N)cc1O[C@H]1CCc2c1cccc2-c1cccc(OCCCN2CCC2)c1Cl |r|
Show InChI InChI=1S/C40H41Cl2N5O4/c41-34-18-28(23-45-24-29-9-12-39(48)46-29)37(50-25-27-17-26(20-43)21-44-22-27)19-38(34)51-35-11-10-31-30(5-1-6-32(31)35)33-7-2-8-36(40(33)42)49-16-4-15-47-13-3-14-47/h1-2,5-8,17-19,21-22,29,35,45H,3-4,9-16,23-25H2,(H,46,48)/t29-,35-/m0/s1
PDB

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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482572
PNG
(US10919852, Compound TABLE 1.271 | US11708326, Com...)
Show SMILES CN1CCC(COc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNC[C@@H]3CCC(=O)N3)cc2Cl)C1 |r|
Show InChI InChI=1S/C40H41Cl2N5O4/c1-47-13-12-25(22-47)23-49-36-7-3-6-33(40(36)42)30-4-2-5-32-31(30)9-10-35(32)51-38-16-37(50-24-27-14-26(17-43)18-44-19-27)28(15-34(38)41)20-45-21-29-8-11-39(48)46-29/h2-7,14-16,18-19,25,29,35,45H,8-13,20-24H2,1H3,(H,46,48)/t25?,29-,35-/m0/s1
PDB

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ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482573
PNG
(US10919852, Compound TABLE 1.272 | US11708326, Com...)
Show SMILES C[C@@H]1CCCCN1CCCOc1cccc(c1C)-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C46H50ClN5O4/c1-30-8-3-4-17-52(30)18-7-19-54-42-12-6-9-37(31(42)2)38-10-5-11-40-39(38)14-15-43(40)56-45-24-44(55-29-34-21-32(25-48)20-33(22-34)26-49)35(23-41(45)47)27-50-28-36-13-16-46(53)51-36/h5-6,9-12,20-24,30,36,43,50H,3-4,7-8,13-19,27-29H2,1-2H3,(H,51,53)/t30-,36-,43+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482583
PNG
(US10919852, Compound TABLE 1.282 | US11708326, Com...)
Show SMILES C[C@H]1CCCCN1CCCOc1cccc(c1C)-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C46H50ClN5O4/c1-30-8-3-4-17-52(30)18-7-19-54-42-12-6-9-37(31(42)2)38-10-5-11-40-39(38)14-15-43(40)56-45-24-44(55-29-34-21-32(25-48)20-33(22-34)26-49)35(23-41(45)47)27-50-28-36-13-16-46(53)51-36/h5-6,9-12,20-24,30,36,43,50H,3-4,7-8,13-19,27-29H2,1-2H3,(H,51,53)/t30-,36-,43-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
Programmed cell death protein 1


(Homo sapiens)
BDBM482584
PNG
(US10919852, Compound TABLE 1.283 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CCC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C43H44ClN5O4/c1-28-34(6-3-9-39(28)51-17-5-16-49-14-4-15-49)35-7-2-8-37-36(35)11-12-40(37)53-42-22-41(52-27-31-19-29(23-45)18-30(20-31)24-46)32(21-38(42)44)25-47-26-33-10-13-43(50)48-33/h2-3,6-9,18-22,33,40,47H,4-5,10-17,25-27H2,1H3,(H,48,50)/t33-,40+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair
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