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Patent code US10882833

Compile Data Set for Download or QSAR
Found 17 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PD-1/PD-L1


(Homo sapiens-Homo sapiens (Human))
BDBM474493
PNG
(N-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(cyclo...)
Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCC1CC1)C(O)=O
Show InChI InChI=1S/C28H29BrClNO5/c1-17(32)27(28(33)34)31-14-21-12-23(30)25(13-24(21)35-15-18-10-11-18)36-16-20-8-5-9-22(26(20)29)19-6-3-2-4-7-19/h2-9,12-13,17-18,27,31-32H,10-11,14-16H2,1H3,(H,33,34)/t17-,27+/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 10.2n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474492
PNG
(N-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(3-met...)
Show SMILES CC(C)=CCOc1cc(OCc2cccc(c2Br)-c2ccccc2)c(Cl)cc1CNC(CO)C(O)=O
Show InChI InChI=1S/C28H29BrClNO5/c1-18(2)11-12-35-25-14-26(23(30)13-21(25)15-31-24(16-32)28(33)34)36-17-20-9-6-10-22(27(20)29)19-7-4-3-5-8-19/h3-11,13-14,24,31-32H,12,15-17H2,1-2H3,(H,33,34)
PDB

UniProtKB/SwissProt
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UniChem
US Patent
n/an/a 18.2n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474502
PNG
((S,S)óN-(4-(2-bromo-3-(2,3-dihydrobenzo[b][1,4]dio...)
Show SMILES O[C@H]1C[C@H](N(Cc2cc(Cl)c(OCc3cccc(c3Br)-c3ccc4OCCOc4c3)cc2OCC2CC2)C1)C(O)=O
Show InChI InChI=1S/C31H31BrClNO7/c32-30-20(2-1-3-23(30)19-6-7-26-29(11-19)39-9-8-38-26)17-41-28-13-27(40-16-18-4-5-18)21(10-24(28)33)14-34-15-22(35)12-25(34)31(36)37/h1-3,6-7,10-11,13,18,22,25,35H,4-5,8-9,12,14-17H2,(H,36,37)/t22-,25-/m0/s1
PDB

UniProtKB/SwissProt
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PC cid
PC sid
UniChem
US Patent
n/an/a 40.5n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474498
PNG
(N-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(2-mor...)
Show SMILES OC[C@H](NCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCC(=O)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C29H30BrClN2O7/c30-28-20(7-4-8-22(28)19-5-2-1-3-6-19)17-39-26-14-25(40-18-27(35)33-9-11-38-12-10-33)21(13-23(26)31)15-32-24(16-34)29(36)37/h1-8,13-14,24,32,34H,9-12,15-18H2,(H,36,37)/t24-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 41.3n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474499
PNG
((S)óN-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(c...)
Show SMILES OC[C@H](NCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCC1CC1)C(O)=O
Show InChI InChI=1S/C27H27BrClNO5/c28-26-19(7-4-8-21(26)18-5-2-1-3-6-18)16-35-25-12-24(34-15-17-9-10-17)20(11-22(25)29)13-30-23(14-31)27(32)33/h1-8,11-12,17,23,30-31H,9-10,13-16H2,(H,32,33)/t23-/m0/s1
PDB

UniProtKB/SwissProt
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PC cid
PC sid
UniChem
US Patent
n/an/a 41.7n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474491
PNG
(N-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(N,N-d...)
Show SMILES CN(C)C(=O)COc1cc(OCc2cccc(c2Br)-c2ccccc2)c(Cl)cc1CNC(CO)C(O)=O
Show InChI InChI=1S/C27H28BrClN2O6/c1-31(2)25(33)16-37-23-12-24(21(29)11-19(23)13-30-22(14-32)27(34)35)36-15-18-9-6-10-20(26(18)28)17-7-4-3-5-8-17/h3-12,22,30,32H,13-16H2,1-2H3,(H,34,35)
PDB

UniProtKB/SwissProt
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PC cid
PC sid
UniChem
US Patent
n/an/a 42.5n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474494
PNG
(2-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(cyclo...)
Show SMILES NC(=O)[C@H](CO)NCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCC1CC1
Show InChI InChI=1S/C27H28BrClN2O4/c28-26-19(7-4-8-21(26)18-5-2-1-3-6-18)16-35-25-12-24(34-15-17-9-10-17)20(11-22(25)29)13-31-23(14-32)27(30)33/h1-8,11-12,17,23,31-32H,9-10,13-16H2,(H2,30,33)/t23-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 81.6n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474488
PNG
(N-acetylaminoethyl-4-(2-bromo-3-phenylbenzyloxy)-5...)
Show SMILES CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCC=C
Show InChI InChI=1S/C27H28BrClN2O3/c1-3-14-33-25-16-26(24(29)15-22(25)17-30-12-13-31-19(2)32)34-18-21-10-7-11-23(27(21)28)20-8-5-4-6-9-20/h3-11,15-16,30H,1,12-14,17-18H2,2H3,(H,31,32)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 126n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474501
PNG
((S,S)óN-(4-(2-bromo-3-(2,3-dihydrobenzo[b][1,4]dio...)
Show SMILES NC(=O)COc1cc(OCc2cccc(c2Br)-c2ccc3OCCOc3c2)c(Cl)cc1CN1C[C@@H](O)C[C@H]1C(O)=O
Show InChI InChI=1S/C29H28BrClN2O8/c30-28-17(2-1-3-20(28)16-4-5-23-26(9-16)39-7-6-38-23)14-40-25-11-24(41-15-27(32)35)18(8-21(25)31)12-33-13-19(34)10-22(33)29(36)37/h1-5,8-9,11,19,22,34H,6-7,10,12-15H2,(H2,32,35)(H,36,37)/t19-,22-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 182n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474500
PNG
((S)óN-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(N...)
Show SMILES ONC(=O)COc1cc(OCc2cccc(c2Br)-c2ccccc2)c(Cl)cc1CN1CCCC[C@H]1C(O)=O
Show InChI InChI=1S/C28H28BrClN2O6/c29-27-19(9-6-10-21(27)18-7-2-1-3-8-18)16-37-25-14-24(38-17-26(33)31-36)20(13-22(25)30)15-32-12-5-4-11-23(32)28(34)35/h1-3,6-10,13-14,23,36H,4-5,11-12,15-17H2,(H,31,33)(H,34,35)/t23-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 183n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474497
PNG
(N-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(N-met...)
Show SMILES CON(C)C(=O)COc1cc(OCc2cccc(c2Br)-c2ccccc2)c(Cl)cc1CN[C@@H](CO)C(O)=O
Show InChI InChI=1S/C27H28BrClN2O7/c1-31(36-2)25(33)16-38-23-12-24(21(29)11-19(23)13-30-22(14-32)27(34)35)37-15-18-9-6-10-20(26(18)28)17-7-4-3-5-8-17/h3-12,22,30,32H,13-16H2,1-2H3,(H,34,35)/t22-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 191n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474486
PNG
((S)óN-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(c...)
Show SMILES NC(=O)COc1cc(OCc2cccc(c2Br)-c2ccccc2)c(Cl)cc1CN[C@@H](CO)C(O)=O
Show InChI InChI=1S/C25H24BrClN2O6/c26-24-16(7-4-8-18(24)15-5-2-1-3-6-15)13-34-22-10-21(35-14-23(28)31)17(9-19(22)27)11-29-20(12-30)25(32)33/h1-10,20,29-30H,11-14H2,(H2,28,31)(H,32,33)/t20-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 312n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474487
PNG
(N-acetylaminoethyl-4-(2-bromo-3-phenylbenzyloxy)-5...)
Show SMILES COc1cc(OCc2cccc(c2Br)-c2ccccc2)c(Cl)cc1CNCCNC(C)=O
Show InChI InChI=1S/C25H26BrClN2O3/c1-17(30)29-12-11-28-15-20-13-22(27)24(14-23(20)31-2)32-16-19-9-6-10-21(25(19)26)18-7-4-3-5-8-18/h3-10,13-14,28H,11-12,15-16H2,1-2H3,(H,29,30)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 732n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474490
PNG
(N-acetylaminoethyl-4-(2-bromo-3-phenylbenzyloxy)-5...)
Show SMILES CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCC1CC1
Show InChI InChI=1S/C28H30BrClN2O3/c1-19(33)32-13-12-31-16-23-14-25(30)27(15-26(23)34-17-20-10-11-20)35-18-22-8-5-9-24(28(22)29)21-6-3-2-4-7-21/h2-9,14-15,20,31H,10-13,16-18H2,1H3,(H,32,33)
PDB

UniProtKB/SwissProt
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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474490
PNG
(N-acetylaminoethyl-4-(2-bromo-3-phenylbenzyloxy)-5...)
Show SMILES CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCC1CC1
Show InChI InChI=1S/C28H30BrClN2O3/c1-19(33)32-13-12-31-16-23-14-25(30)27(15-26(23)34-17-20-10-11-20)35-18-22-8-5-9-24(28(22)29)21-6-3-2-4-7-21/h2-9,14-15,20,31H,10-13,16-18H2,1H3,(H,32,33)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.15E+3n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474496
PNG
(N-(4-(2-bromo-3-phenylbenzyloxy)-5-chloro-2-(cyclo...)
Show SMILES NC(=O)NCCC[C@H](NCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCC1CC1)C(O)=O
Show InChI InChI=1S/C30H33BrClN3O5/c31-28-21(8-4-9-23(28)20-6-2-1-3-7-20)18-40-27-15-26(39-17-19-11-12-19)22(14-24(27)32)16-35-25(29(36)37)10-5-13-34-30(33)38/h1-4,6-9,14-15,19,25,35H,5,10-13,16-18H2,(H,36,37)(H3,33,34,38)/t25-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.41E+3n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474489
PNG
(N-acetylaminoethyl-4-(2-bromo-3-phenylbenzyloxy)-5...)
Show SMILES CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCC#C
Show InChI InChI=1S/C27H26BrClN2O3/c1-3-14-33-25-16-26(24(29)15-22(25)17-30-12-13-31-19(2)32)34-18-21-10-7-11-23(27(21)28)20-8-5-4-6-9-20/h1,4-11,15-16,30H,12-14,17-18H2,2H3,(H,31,32)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



Institute of Materia Medica, Chinese Academy of Medical Sciences; Tianjin Chase Sun Pharmaceutical Co., LTD

US Patent


Assay Description
1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Prin...


US Patent US10882833 (2021)

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