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Patent code US10568874

Compile Data Set for Download or QSAR
Found 8 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


(Homo sapiens (Human))		BDBM435235
PNG
(US10568874, Example Table 1.8)
Show SMILES CCOc1cc(NC2CCc3c2cccc3-c2ccccc2F)c(Cl)cc1CN[C@@H](CO)C(O)=O
Show InChI InChI=1S/C27H28ClFN2O4/c1-2-35-26-13-24(21(28)12-16(26)14-30-25(15-32)27(33)34)31-23-11-10-18-17(7-5-8-20(18)23)19-6-3-4-9-22(19)29/h3-9,12-13,23,25,30-32H,2,10-11,14-15H2,1H3,(H,33,34)/t23?,25-/m0/s1
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n/an/a 253n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
Plates were coated with 1 μg/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/V...

US Patent US10568874 (2020)


BindingDB Entry DOI: 10.7270/Q2639S47
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM435228
PNG
(US10568874, Example Table 1.1)
Show SMILES CCOc1cc(NC2CCc3c2cccc3-c2cccc(OCCCN3CCC(F)CC3)c2C)c(Cl)cc1CNC[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C38H48ClFN4O3/c1-3-46-37-22-35(33(39)21-26(37)23-41-24-28-11-14-38(45)42-28)43-34-13-12-31-30(8-4-9-32(31)34)29-7-5-10-36(25(29)2)47-20-6-17-44-18-15-27(40)16-19-44/h4-5,7-10,21-22,27-28,34,41,43H,3,6,11-20,23-24H2,1-2H3,(H,42,45)/t28-,34?/m0/s1
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n/an/a 253n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
Plates were coated with 1 μg/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/V...

US Patent US10568874 (2020)


BindingDB Entry DOI: 10.7270/Q2639S47
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM435230
PNG
(US10568874, Example Table 1.3)
Show SMILES CCOc1cc(NC2CCc3c2cccc3-c2cccc(OCCCN3CCC(C)(F)CC3)c2C)c(Cl)cc1CNC[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C39H50ClFN4O3/c1-4-47-37-23-35(33(40)22-27(37)24-42-25-28-12-15-38(46)43-28)44-34-14-13-31-30(9-5-10-32(31)34)29-8-6-11-36(26(29)2)48-21-7-18-45-19-16-39(3,41)17-20-45/h5-6,8-11,22-23,28,34,42,44H,4,7,12-21,24-25H2,1-3H3,(H,43,46)/t28-,34?/m0/s1
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n/an/a 253n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
Plates were coated with 1 μg/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/V...

US Patent US10568874 (2020)


BindingDB Entry DOI: 10.7270/Q2639S47
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM435234
PNG
(US10568874, Example Table 1.7)
Show SMILES CCOc1cc(NC2CCc3c2cccc3-c2cccc(OCCCN3CCC(F)CC3)c2C)c(Cl)cc1CN[C@@H](CO)C(O)=O
Show InChI InChI=1S/C36H45ClFN3O5/c1-3-45-35-20-32(30(37)19-24(35)21-39-33(22-42)36(43)44)40-31-12-11-28-27(8-4-9-29(28)31)26-7-5-10-34(23(26)2)46-18-6-15-41-16-13-25(38)14-17-41/h4-5,7-10,19-20,25,31,33,39-40,42H,3,6,11-18,21-22H2,1-2H3,(H,43,44)/t31?,33-/m0/s1
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n/an/a 253n/an/an/an/an/an/a



ChemoCentryx, Inc.

US Patent


Assay Description
Plates were coated with 1 μg/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/V...

US Patent US10568874 (2020)


BindingDB Entry DOI: 10.7270/Q2639S47
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM435229
PNG
(US10568874, Example Table 1.2)
Show SMILES CCOc1cc(NC2CCc3c2cccc3-c2cccc(OCCCN3CCC(F)CC3)c2C)c(Cl)cc1CN[C@H]1CCC(=O)NC1
Show InChI InChI=1S/C38H48ClFN4O3/c1-3-46-37-22-35(33(39)21-26(37)23-41-28-11-14-38(45)42-24-28)43-34-13-12-31-30(8-4-9-32(31)34)29-7-5-10-36(25(29)2)47-20-6-17-44-18-15-27(40)16-19-44/h4-5,7-10,21-22,27-28,34,41,43H,3,6,11-20,23-24H2,1-2H3,(H,42,45)/t28-,34?/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
Plates were coated with 1 μg/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/V...

US Patent US10568874 (2020)


BindingDB Entry DOI: 10.7270/Q2639S47
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM435233
PNG
(US10568874, Example Table 1.6)
Show SMILES CCOc1cc(NC2CCc3c2cccc3-c2cccc(OCCCN3CCC(C)(F)CC3)c2Cl)c(Cl)cc1CN[C@H]1CCC(=O)NC1
Show InChI InChI=1S/C38H47Cl2FN4O3/c1-3-47-35-22-33(31(39)21-25(35)23-42-26-11-14-36(46)43-24-26)44-32-13-12-28-27(7-4-8-29(28)32)30-9-5-10-34(37(30)40)48-20-6-17-45-18-15-38(2,41)16-19-45/h4-5,7-10,21-22,26,32,42,44H,3,6,11-20,23-24H2,1-2H3,(H,43,46)/t26-,32?/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
Plates were coated with 1 μg/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/V...

US Patent US10568874 (2020)


BindingDB Entry DOI: 10.7270/Q2639S47
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM435232
PNG
(US10568874, Example Table 1.5)
Show SMILES CCOc1cc(NC2CCc3c2cccc3-c2cccc(OCCCN3CCC(C)(F)CC3)c2Cl)c(Cl)cc1CN1CCC(O)CC1
Show InChI InChI=1S/C38H48Cl2FN3O3/c1-3-46-36-24-34(32(39)23-26(36)25-44-18-13-27(45)14-19-44)42-33-12-11-29-28(7-4-8-30(29)33)31-9-5-10-35(37(31)40)47-22-6-17-43-20-15-38(2,41)16-21-43/h4-5,7-10,23-24,27,33,42,45H,3,6,11-22,25H2,1-2H3
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ChemoCentryx, Inc.

US Patent


Assay Description
Plates were coated with 1 μg/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/V...

US Patent US10568874 (2020)


BindingDB Entry DOI: 10.7270/Q2639S47
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))		BDBM435231
PNG
(US10568874, Example Table 1.4)
Show SMILES CCOc1cc(NC2CCc3c2cccc3-c2cccc(OCCCN3CCC(C)(F)CC3)c2C)c(Cl)cc1CN[C@H]1CCC(=O)NC1
Show InChI InChI=1S/C39H50ClFN4O3/c1-4-47-37-23-35(33(40)22-27(37)24-42-28-12-15-38(46)43-25-28)44-34-14-13-31-30(9-5-10-32(31)34)29-8-6-11-36(26(29)2)48-21-7-18-45-19-16-39(3,41)17-20-45/h5-6,8-11,22-23,28,34,42,44H,4,7,12-21,24-25H2,1-3H3,(H,43,46)/t28-,34?/m0/s1
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ChemoCentryx, Inc.

US Patent


Assay Description
Plates were coated with 1 μg/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/V...

US Patent US10568874 (2020)


BindingDB Entry DOI: 10.7270/Q2639S47
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%