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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with Target = 'Human PD-L1-TVMV-His' AND taxid = 9606   
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
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304260
PNG
(US10143746, Example 5001)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C91H128N22O19S/c1-10-12-31-71-85(126)103-63(34-35-78(118)119)82(123)108-70(80(121)98-47-75(94)115)49-133-50-77(117)101-67(39-54-24-15-14-16-25-54)88(129)110(7)53(5)79(120)105-69(43-74(93)114)90(131)113-37-23-33-72(113)86(127)104-65(42-57-46-95-51-99-57)84(125)106-66(38-52(3)4)87(128)109(6)48-76(116)100-64(40-55-44-96-60-28-19-17-26-58(55)60)83(124)102-62(30-21-22-36-92)81(122)107-68(41-56-45-97-61-29-20-18-27-59(56)61)89(130)112(9)73(32-13-11-2)91(132)111(71)8/h14-20,24-29,44-46,51-53,62-73,96-97H,10-13,21-23,30-43,47-50,92H2,1-9H3,(H2,93,114)(H2,94,115)(H,95,99)(H,98,121)(H,100,116)(H,101,117)(H,102,124)(H,103,126)(H,104,127)(H,105,120)(H,106,125)(H,107,122)(H,108,123)(H,118,119)/t53-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304286
PNG
(US10143746, Example 5008)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C92H128N22O21S/c1-8-10-24-71-86(129)104-63(31-32-78(120)121)82(125)110-70(80(123)99-45-76(95)118)47-136-48-77(119)102-64(36-52-27-29-56(115)30-28-52)83(126)101-51(5)79(122)107-69(41-75(94)117)90(133)113-34-18-26-72(113)87(130)106-66(39-55-44-96-49-100-55)85(128)108-67(35-50(3)4)91(134)114-46-57(116)40-74(114)88(131)105-65(37-53-42-97-60-21-14-12-19-58(53)60)84(127)103-62(23-16-17-33-93)81(124)109-68(38-54-43-98-61-22-15-13-20-59(54)61)89(132)112(7)73(25-11-9-2)92(135)111(71)6/h12-15,19-22,27-30,42-44,49-51,57,62-74,97-98,115-116H,8-11,16-18,23-26,31-41,45-48,93H2,1-7H3,(H2,94,117)(H2,95,118)(H,96,100)(H,99,123)(H,101,126)(H,102,119)(H,103,127)(H,104,129)(H,105,131)(H,106,130)(H,107,122)(H,108,128)(H,109,124)(H,110,125)(H,120,121)/t51-,57-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304274
PNG
(US10143746, Example 1404)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)CC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]2CCCNC(=O)CC[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)NCC(N)=O)C(=O)C1CCC[C@H]1C(=O)N[C@@H](Cc1cn(cn1)C(=O)C(F)(F)F)C(=O)N2
Show InChI InChI=1S/C92H120F3N19O21S/c1-8-10-25-71-86(130)102-49(3)79(123)109-70(83(127)100-42-75(96)119)46-136-47-77(121)103-67(34-51-27-29-56(116)30-28-51)87(131)110(5)50(4)80(124)104-64-31-32-76(120)97-33-17-24-65(105-84(128)66(106-82(126)61-21-16-20-60(61)78(64)122)38-55-43-113(48-101-55)91(135)92(93,94)95)89(133)114-44-57(117)39-73(114)74(118)37-52(35-53-40-98-62-22-14-12-18-58(53)62)81(125)108-69(45-115)85(129)107-68(36-54-41-99-63-23-15-13-19-59(54)63)88(132)112(7)72(26-11-9-2)90(134)111(71)6/h12-15,18-19,22-23,27-30,40-41,43,48-50,52,57,60-61,64-73,98-99,115-117H,8-11,16-17,20-21,24-26,31-39,42,44-47H2,1-7H3,(H2,96,119)(H,97,120)(H,100,127)(H,102,130)(H,103,121)(H,104,124)(H,105,128)(H,106,126)(H,107,129)(H,108,125)(H,109,123)/t49-,50-,52+,57+,60?,61+,64-,65+,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304263
PNG
(US10143746, Example 5004)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2csc3ccccc23)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C93H128N20O20S2/c1-10-13-24-62-82(122)107-68(42-56-48-135-75-30-19-17-23-60(56)75)90(130)111(9)74(27-15-12-3)93(133)110(8)71(26-14-11-2)86(126)102-63(35-36-79(118)119)83(123)108-70(81(121)98-47-77(95)116)49-134-50-78(117)100-67(40-54-31-33-58(114)34-32-54)89(129)109(7)53(6)80(120)105-69(44-76(94)115)92(132)113-38-21-29-73(113)88(128)104-65(43-57-46-96-51-99-57)85(125)106-66(39-52(4)5)91(131)112-37-20-28-72(112)87(127)103-64(84(124)101-62)41-55-45-97-61-25-18-16-22-59(55)61/h16-19,22-23,25,30-34,45-46,48,51-53,62-74,97,114H,10-15,20-21,24,26-29,35-44,47,49-50H2,1-9H3,(H2,94,115)(H2,95,116)(H,96,99)(H,98,121)(H,100,117)(H,101,124)(H,102,126)(H,103,127)(H,104,128)(H,105,120)(H,106,125)(H,107,122)(H,108,123)(H,118,119)/t53-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304273
PNG
(US10143746, Example 1403)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]2CCC(=O)NCCC[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)NCC(N)=O)C(=O)C1CCC[C@H]1C(=O)N[C@@H](Cc1cn(cn1)C(=O)C(F)(F)F)C(=O)N2
Show InChI InChI=1S/C91H119F3N20O21S/c1-8-10-25-70-84(129)101-48(3)77(122)109-69(80(125)99-41-73(95)118)45-136-46-75(120)102-66(34-50-27-29-54(116)30-28-50)86(131)110(5)49(4)78(123)103-62-24-17-33-96-74(119)32-31-63(104-82(127)65(105-79(124)59-21-16-20-58(59)76(62)121)37-53-42-113(47-100-53)90(135)91(92,93)94)88(133)114-43-55(117)38-72(114)85(130)106-64(35-51-39-97-60-22-14-12-18-56(51)60)81(126)108-68(44-115)83(128)107-67(36-52-40-98-61-23-15-13-19-57(52)61)87(132)112(7)71(26-11-9-2)89(134)111(70)6/h12-15,18-19,22-23,27-30,39-40,42,47-49,55,58-59,62-72,97-98,115-117H,8-11,16-17,20-21,24-26,31-38,41,43-46H2,1-7H3,(H2,95,118)(H,96,119)(H,99,125)(H,101,129)(H,102,120)(H,103,123)(H,104,127)(H,105,124)(H,106,130)(H,107,128)(H,108,126)(H,109,122)/t48-,49-,55+,58?,59+,62-,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304285
PNG
(US10143746, Example 5007)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C91H125N23O22S/c1-6-8-22-69-85(130)104-61(30-32-77(121)122)81(126)110-68(79(124)99-44-75(95)119)46-137-47-76(120)102-63(35-50-25-27-54(115)28-26-50)82(127)101-49(3)78(123)108-67(40-74(94)118)90(135)113-34-16-24-70(113)86(131)107-65(38-53-43-96-48-100-53)84(129)105-62(29-31-73(93)117)89(134)114-45-55(116)39-72(114)87(132)106-64(36-51-41-97-58-19-12-10-17-56(51)58)83(128)103-60(21-14-15-33-92)80(125)109-66(37-52-42-98-59-20-13-11-18-57(52)59)88(133)112(5)71(23-9-7-2)91(136)111(69)4/h10-13,17-20,25-28,41-43,48-49,55,60-72,97-98,115-116H,6-9,14-16,21-24,29-40,44-47,92H2,1-5H3,(H2,93,117)(H2,94,118)(H2,95,119)(H,96,100)(H,99,124)(H,101,127)(H,102,120)(H,103,128)(H,104,130)(H,105,129)(H,106,132)(H,107,131)(H,108,123)(H,109,125)(H,110,126)(H,121,122)/t49-,55-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304264
PNG
(US10143746, Example 1400)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCC(=O)NCC[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)NCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2
Show InChI InChI=1S/C87H122N22O20S/c1-8-10-23-66-79(122)98-58(22-16-33-92-87(89)90)76(119)104-65(75(118)95-42-70(88)113)45-130-46-72(115)97-62(36-49-26-28-52(111)29-27-49)82(125)105(5)48(4)74(117)100-60-32-34-91-71(114)31-30-59(99-73(116)47(3)96-80(123)67-25-17-35-108(67)84(60)127)85(128)109-43-53(112)39-69(109)81(124)101-61(37-50-40-93-56-20-14-12-18-54(50)56)77(120)103-64(44-110)78(121)102-63(38-51-41-94-57-21-15-13-19-55(51)57)83(126)107(7)68(24-11-9-2)86(129)106(66)6/h12-15,18-21,26-29,40-41,47-48,53,58-69,93-94,110-112H,8-11,16-17,22-25,30-39,42-46H2,1-7H3,(H2,88,113)(H,91,114)(H,95,118)(H,96,123)(H,97,115)(H,98,122)(H,99,116)(H,100,117)(H,101,124)(H,102,121)(H,103,120)(H,104,119)(H4,89,90,92)/t47-,48-,53+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304265
PNG
(US10143746, Example 1401)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCNC(=O)CNC(=O)[C@H](CSCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3cn(cn3)C(=O)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C(=O)N2)NC(=O)[C@H](C)NC1=O
Show InChI InChI=1S/C90H120F3N21O20S/c1-10-12-25-69-83(128)100-49(5)75(120)109-68-45-135-46-74(119)101-64(35-51-28-30-55(116)31-29-51)85(130)110(7)50(6)76(121)106-66(39-72(94)117)87(132)114-33-19-27-70(114)84(129)105-63(38-54-43-113(47-99-54)89(134)90(91,92)93)81(126)103-61(34-48(3)4)79(124)102-60(24-18-32-95-73(118)42-98-77(68)122)78(123)104-62(36-52-40-96-58-22-16-14-20-56(52)58)80(125)108-67(44-115)82(127)107-65(37-53-41-97-59-23-17-15-21-57(53)59)86(131)112(9)71(26-13-11-2)88(133)111(69)8/h14-17,20-23,28-31,40-41,43,47-50,60-71,96-97,115-116H,10-13,18-19,24-27,32-39,42,44-46H2,1-9H3,(H2,94,117)(H,95,118)(H,98,122)(H,100,128)(H,101,119)(H,102,124)(H,103,126)(H,104,123)(H,105,129)(H,106,121)(H,107,127)(H,108,125)(H,109,120)/t49-,50-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304266
PNG
(US10143746, Example 1402)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCC(=O)NCCC[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)N)NC1=O)C(=O)NCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2
Show InChI InChI=1S/C88H126N22O20S/c1-8-10-25-67-80(123)99-59(23-16-35-93-88(90)91)77(120)105-66(76(119)96-43-71(89)114)46-131-47-73(116)98-63(37-50-28-30-53(112)31-29-50)83(126)106(5)49(4)75(118)101-60-24-17-34-92-72(115)33-32-61(100-74(117)48(3)97-81(124)68-27-18-36-109(68)85(60)128)86(129)110-44-54(113)40-70(110)82(125)102-62(38-51-41-94-57-21-14-12-19-55(51)57)78(121)104-65(45-111)79(122)103-64(39-52-42-95-58-22-15-13-20-56(52)58)84(127)108(7)69(26-11-9-2)87(130)107(67)6/h12-15,19-22,28-31,41-42,48-49,54,59-70,88,93-95,111-113H,8-11,16-18,23-27,32-40,43-47,90-91H2,1-7H3,(H2,89,114)(H,92,115)(H,96,119)(H,97,124)(H,98,116)(H,99,123)(H,100,117)(H,101,118)(H,102,125)(H,103,122)(H,104,121)(H,105,120)/t48-,49-,54+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304261
PNG
(US10143746, Example 5002)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C91H128N22O19S/c1-10-12-31-71-85(126)103-62(30-21-22-36-92)81(122)108-70(80(121)98-47-75(94)115)49-133-50-77(117)101-67(39-54-24-15-14-16-25-54)88(129)110(7)53(5)79(120)105-69(43-74(93)114)90(131)113-37-23-33-72(113)86(127)104-65(42-57-46-95-51-99-57)84(125)106-66(38-52(3)4)87(128)109(6)48-76(116)100-64(40-55-44-96-60-28-19-17-26-58(55)60)83(124)102-63(34-35-78(118)119)82(123)107-68(41-56-45-97-61-29-20-18-27-59(56)61)89(130)112(9)73(32-13-11-2)91(132)111(71)8/h14-20,24-29,44-46,51-53,62-73,96-97H,10-13,21-23,30-43,47-50,92H2,1-9H3,(H2,93,114)(H2,94,115)(H,95,99)(H,98,121)(H,100,116)(H,101,117)(H,102,124)(H,103,126)(H,104,127)(H,105,120)(H,106,125)(H,107,123)(H,108,122)(H,118,119)/t53-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304284
PNG
(US10143746, Example 5006)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)C(CCC(N)=O)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C89H122N22O22S/c1-6-8-22-68-83(127)100-59(29-30-72(91)115)78(122)107-67(77(121)96-42-73(92)116)45-134-46-74(117)99-61(33-49-25-27-53(113)28-26-49)79(123)98-48(3)76(120)104-65(38-75(118)119)88(132)110-32-16-24-69(110)84(128)103-63(36-52-41-93-47-97-52)81(125)101-60(21-14-15-31-90)87(131)111-43-54(114)37-71(111)85(129)102-62(34-50-39-94-57-19-12-10-17-55(50)57)80(124)106-66(44-112)82(126)105-64(35-51-40-95-58-20-13-11-18-56(51)58)86(130)109(5)70(23-9-7-2)89(133)108(68)4/h10-13,17-20,25-28,39-41,47-48,54,59-71,94-95,112-114H,6-9,14-16,21-24,29-38,42-46,90H2,1-5H3,(H2,91,115)(H2,92,116)(H,93,97)(H,96,121)(H,98,123)(H,99,117)(H,100,127)(H,101,125)(H,102,129)(H,103,128)(H,104,120)(H,105,126)(H,106,124)(H,107,122)(H,118,119)/t48-,54-,59?,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304283
PNG
(US10143746, Example 1508)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCNC(=O)C[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)NCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2
Show InChI InChI=1S/C87H117N21O20S/c1-8-10-23-67-80(121)95-47(3)74(115)103-66(76(117)93-41-71(88)112)44-129-45-73(114)96-62(32-49-26-28-53(110)29-27-49)83(124)104(5)48(4)75(116)100-64-37-72(113)90-30-16-22-59(97-78(119)61(35-52-40-89-46-94-52)99-81(122)68-25-17-31-107(68)86(64)127)85(126)108-42-54(111)36-70(108)82(123)98-60(33-50-38-91-57-20-14-12-18-55(50)57)77(118)102-65(43-109)79(120)101-63(34-51-39-92-58-21-15-13-19-56(51)58)84(125)106(7)69(24-11-9-2)87(128)105(67)6/h12-15,18-21,26-29,38-40,46-48,54,59-70,91-92,109-111H,8-11,16-17,22-25,30-37,41-45H2,1-7H3,(H2,88,112)(H,89,94)(H,90,113)(H,93,117)(H,95,121)(H,96,114)(H,97,119)(H,98,123)(H,99,122)(H,100,116)(H,101,120)(H,102,118)(H,103,115)/t47-,48-,54+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304282
PNG
(US10143746, Example 1507)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCCNC(=O)C[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)NCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2
Show InChI InChI=1S/C88H119N21O20S/c1-8-10-24-68-81(122)96-48(3)75(116)104-67(77(118)94-42-72(89)113)45-130-46-74(115)97-63(33-50-27-29-54(111)30-28-50)84(125)105(5)49(4)76(117)101-65-38-73(114)91-31-17-16-23-60(98-79(120)62(36-53-41-90-47-95-53)100-82(123)69-26-18-32-108(69)87(65)128)86(127)109-43-55(112)37-71(109)83(124)99-61(34-51-39-92-58-21-14-12-19-56(51)58)78(119)103-66(44-110)80(121)102-64(35-52-40-93-59-22-15-13-20-57(52)59)85(126)107(7)70(25-11-9-2)88(129)106(68)6/h12-15,19-22,27-30,39-41,47-49,55,60-71,92-93,110-112H,8-11,16-18,23-26,31-38,42-46H2,1-7H3,(H2,89,113)(H,90,95)(H,91,114)(H,94,118)(H,96,122)(H,97,115)(H,98,120)(H,99,124)(H,100,123)(H,101,117)(H,102,121)(H,103,119)(H,104,116)/t48-,49-,55+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304271
PNG
(US10143746, Example 5005)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)C(CC(O)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C93H130N22O22S/c1-7-9-26-72-86(130)104-64(33-34-78(120)121)83(127)110-71(81(125)100-47-76(96)118)49-138-50-77(119)102-68(38-53-29-31-57(116)32-30-53)89(133)111(4)52(3)80(124)108-70(43-79(122)123)92(136)114-37-19-28-73(114)87(131)107-67(41-56-46-97-51-101-56)85(129)105-65(25-16-18-36-95)91(135)115-48-58(117)42-75(115)88(132)106-66(39-54-44-98-61-22-13-11-20-59(54)61)84(128)103-63(24-15-17-35-94)82(126)109-69(40-55-45-99-62-23-14-12-21-60(55)62)90(134)113(6)74(27-10-8-2)93(137)112(72)5/h11-14,20-23,29-32,44-46,51-52,58,63-75,98-99,116-117H,7-10,15-19,24-28,33-43,47-50,94-95H2,1-6H3,(H2,96,118)(H,97,101)(H,100,125)(H,102,119)(H,103,128)(H,104,130)(H,105,129)(H,106,132)(H,107,131)(H,108,124)(H,109,126)(H,110,127)(H,120,121)(H,122,123)/t52-,58+,63-,64-,65-,66-,67-,68-,69-,70?,71-,72-,73-,74-,75-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304272
PNG
(US10143746, Example 7155)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)CCl)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C163H192ClN21O22S/c1-20-24-81-135(148(195)170-125(60-23-4)145(192)176-132(143(190)167-101-139(165)186)104-208-163(117-73-47-32-48-74-117,118-75-49-33-50-76-118)119-77-51-34-52-78-119)179(18)155(202)138(82-25-21-2)180(19)152(199)130(96-110-103-184(157(204)207-160(14,15)16)134-84-56-54-80-123(110)134)175-144(191)124(59-22-3)169-146(193)126(95-109-102-183(156(203)206-159(11,12)13)133-83-55-53-79-122(109)133)171-149(196)136-85-57-91-181(136)153(200)128(93-106(5)6)174-147(194)127(97-120-100-166-105-185(120)162(114-67-41-29-42-68-114,115-69-43-30-44-70-115)116-71-45-31-46-72-116)172-150(197)137-86-58-92-182(137)154(201)131(98-140(187)177-161(111-61-35-26-36-62-111,112-63-37-27-38-64-112)113-65-39-28-40-66-113)173-142(189)107(7)178(17)151(198)129(168-141(188)99-164)94-108-87-89-121(90-88-108)205-158(8,9)10/h22-23,26-56,61-80,83-84,87-90,100,102-103,105-107,124-132,135-138H,3-4,20-21,24-25,57-60,81-82,85-86,91-99,101,104H2,1-2,5-19H3,(H2,165,186)(H,167,190)(H,168,188)(H,169,193)(H,170,195)(H,171,196)(H,172,197)(H,173,189)(H,174,194)(H,175,191)(H,176,192)(H,177,187)/t107-,124-,125-,126-,127-,128-,129-,130-,131-,132-,135-,136-,137-,138-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304287
PNG
(US10143746, Example 7156)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCC[C@H](NC1=O)C(=O)N[C@@H](CSCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2)C(=O)NCC(N)=O
Show InChI InChI=1S/C90H123N21O18S/c1-9-11-27-70-83(122)100-62-26-18-17-25-61(79(118)105-67(40-54-44-95-60-24-16-14-22-58(54)60)87(126)109(8)73(28-12-10-2)90(129)108(70)7)99-81(120)63(39-53-43-94-59-23-15-13-21-57(53)59)101-84(123)71-29-19-35-110(71)88(127)65(37-50(3)4)104-82(121)64(41-55-45-93-49-97-55)102-85(124)72-30-20-36-111(72)89(128)68(42-74(91)113)103-77(116)51(5)107(6)86(125)66(38-52-31-33-56(112)34-32-52)98-76(115)48-130-47-69(106-80(62)119)78(117)96-46-75(92)114/h13-16,21-24,31-34,43-45,49-51,61-73,94-95,112H,9-12,17-20,25-30,35-42,46-48H2,1-8H3,(H2,91,113)(H2,92,114)(H,93,97)(H,96,117)(H,98,115)(H,99,120)(H,100,122)(H,101,123)(H,102,124)(H,103,116)(H,104,121)(H,105,118)(H,106,119)/t51-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304262
PNG
(US10143746, Example 5003)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C90H126N22O19S/c1-10-12-30-70-84(125)102-62(33-34-77(117)118)81(122)107-69(79(120)97-46-74(93)114)48-132-49-76(116)100-66(38-53-23-15-14-16-24-53)87(128)109(7)52(5)78(119)104-68(42-73(92)113)89(130)112-36-22-32-71(112)85(126)103-64(41-56-45-94-50-98-56)83(124)105-65(37-51(3)4)86(127)108(6)47-75(115)99-63(39-54-43-95-59-27-19-17-25-57(54)59)82(123)101-61(29-21-35-91)80(121)106-67(40-55-44-96-60-28-20-18-26-58(55)60)88(129)111(9)72(31-13-11-2)90(131)110(70)8/h14-20,23-28,43-45,50-52,61-72,95-96H,10-13,21-22,29-42,46-49,91H2,1-9H3,(H2,92,113)(H2,93,114)(H,94,98)(H,97,120)(H,99,115)(H,100,116)(H,101,123)(H,102,125)(H,103,126)(H,104,119)(H,105,124)(H,106,121)(H,107,122)(H,117,118)/t52-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304275
PNG
(US10143746, Example 1405)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCNC(=O)CNC(=O)[C@H](CSCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCCC3C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CC(C)C)C(=O)NC2)NC(=O)[C@H](C)NC1=O
Show InChI InChI=1S/C89H123N21O19S/c1-10-12-25-70-84(124)98-50(5)76(116)106-69-46-130-47-75(115)99-65(35-52-28-30-57(112)31-29-52)86(126)107(7)51(6)77(117)103-67(39-73(90)113)88(128)110-33-19-27-71(110)85(125)102-64(38-56-43-91-48-97-56)82(122)101-62(34-49(3)4)79(119)95-40-53(20-18-32-92-74(114)44-96-80(69)120)78(118)100-63(36-54-41-93-60-23-16-14-21-58(54)60)81(121)105-68(45-111)83(123)104-66(37-55-42-94-61-24-17-15-22-59(55)61)87(127)109(9)72(26-13-11-2)89(129)108(70)8/h14-17,21-24,28-31,41-43,48-51,53,62-72,93-94,111-112H,10-13,18-20,25-27,32-40,44-47H2,1-9H3,(H2,90,113)(H,91,97)(H,92,114)(H,95,119)(H,96,120)(H,98,124)(H,99,115)(H,100,118)(H,101,122)(H,102,125)(H,103,117)(H,104,123)(H,105,121)(H,106,116)/t50-,51-,53+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71?,72-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304276
PNG
(US10143746, Example 1500)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCNC(=O)C[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)NCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2
Show InChI InChI=1S/C86H115N21O20S/c1-8-10-21-66-79(120)94-46(3)73(114)102-65(75(116)92-40-70(87)111)43-128-44-72(113)95-61(31-48-24-26-52(109)27-25-48)82(123)103(5)47(4)74(115)99-63-36-71(112)89-29-28-58(96-77(118)60(34-51-39-88-45-93-51)98-80(121)67-23-16-30-106(67)85(63)126)84(125)107-41-53(110)35-69(107)81(122)97-59(32-49-37-90-56-19-14-12-17-54(49)56)76(117)101-64(42-108)78(119)100-62(33-50-38-91-57-20-15-13-18-55(50)57)83(124)105(7)68(22-11-9-2)86(127)104(66)6/h12-15,17-20,24-27,37-39,45-47,53,58-69,90-91,108-110H,8-11,16,21-23,28-36,40-44H2,1-7H3,(H2,87,111)(H,88,93)(H,89,112)(H,92,116)(H,94,120)(H,95,113)(H,96,118)(H,97,122)(H,98,121)(H,99,115)(H,100,119)(H,101,117)(H,102,114)/t46-,47-,53+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304277
PNG
(US10143746, Example 1501)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCNC(=O)CC[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)NCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2
Show InChI InChI=1S/C87H117N21O20S/c1-8-10-21-67-80(121)95-47(3)74(115)103-66(76(117)93-41-71(88)112)44-129-45-73(114)96-63(33-49-24-26-53(110)27-25-49)83(124)104(5)48(4)75(116)97-59-28-29-72(113)90-31-30-60(98-78(119)62(36-52-40-89-46-94-52)100-81(122)68-23-16-32-107(68)85(59)126)86(127)108-42-54(111)37-70(108)82(123)99-61(34-50-38-91-57-19-14-12-17-55(50)57)77(118)102-65(43-109)79(120)101-64(35-51-39-92-58-20-15-13-18-56(51)58)84(125)106(7)69(22-11-9-2)87(128)105(67)6/h12-15,17-20,24-27,38-40,46-48,54,59-70,91-92,109-111H,8-11,16,21-23,28-37,41-45H2,1-7H3,(H2,88,112)(H,89,94)(H,90,113)(H,93,117)(H,95,121)(H,96,114)(H,97,116)(H,98,119)(H,99,123)(H,100,122)(H,101,120)(H,102,118)(H,103,115)/t47-,48-,54+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304279
PNG
(US10143746, Example 1504)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCC(=O)NCC[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)NCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2
Show InChI InChI=1S/C87H117N21O20S/c1-8-10-21-67-80(121)95-47(3)74(115)103-66(76(117)93-41-71(88)112)44-129-45-73(114)96-63(33-49-24-26-53(110)27-25-49)83(124)104(5)48(4)75(116)97-60-30-31-90-72(113)29-28-59(98-78(119)62(36-52-40-89-46-94-52)100-81(122)68-23-16-32-107(68)85(60)126)86(127)108-42-54(111)37-70(108)82(123)99-61(34-50-38-91-57-19-14-12-17-55(50)57)77(118)102-65(43-109)79(120)101-64(35-51-39-92-58-20-15-13-18-56(51)58)84(125)106(7)69(22-11-9-2)87(128)105(67)6/h12-15,17-20,24-27,38-40,46-48,54,59-70,91-92,109-111H,8-11,16,21-23,28-37,41-45H2,1-7H3,(H2,88,112)(H,89,94)(H,90,113)(H,93,117)(H,95,121)(H,96,114)(H,97,116)(H,98,119)(H,99,123)(H,100,122)(H,101,120)(H,102,118)(H,103,115)/t47-,48-,54+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304280
PNG
(US10143746, Example 1505)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCNC(=O)CC[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)NCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2
Show InChI InChI=1S/C88H119N21O20S/c1-8-10-23-68-81(122)96-48(3)75(116)104-67(77(118)94-42-72(89)113)45-130-46-74(115)97-64(34-50-26-28-54(111)29-27-50)84(125)105(5)49(4)76(117)98-61-30-31-73(114)91-32-16-22-60(99-79(120)63(37-53-41-90-47-95-53)101-82(123)69-25-17-33-108(69)86(61)127)87(128)109-43-55(112)38-71(109)83(124)100-62(35-51-39-92-58-20-14-12-18-56(51)58)78(119)103-66(44-110)80(121)102-65(36-52-40-93-59-21-15-13-19-57(52)59)85(126)107(7)70(24-11-9-2)88(129)106(68)6/h12-15,18-21,26-29,39-41,47-49,55,60-71,92-93,110-112H,8-11,16-17,22-25,30-38,42-46H2,1-7H3,(H2,89,113)(H,90,95)(H,91,114)(H,94,118)(H,96,122)(H,97,115)(H,98,117)(H,99,120)(H,100,124)(H,101,123)(H,102,121)(H,103,119)(H,104,116)/t48-,49-,55+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304281
PNG
(US10143746, Example 1506)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCC(=O)NCCC[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)NCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2
Show InChI InChI=1S/C88H119N21O20S/c1-8-10-23-68-81(122)96-48(3)75(116)104-67(77(118)94-42-72(89)113)45-130-46-74(115)97-64(34-50-26-28-54(111)29-27-50)84(125)105(5)49(4)76(117)98-60-22-16-32-91-73(114)31-30-61(99-79(120)63(37-53-41-90-47-95-53)101-82(123)69-25-17-33-108(69)86(60)127)87(128)109-43-55(112)38-71(109)83(124)100-62(35-51-39-92-58-20-14-12-18-56(51)58)78(119)103-66(44-110)80(121)102-65(36-52-40-93-59-21-15-13-19-57(52)59)85(126)107(7)70(24-11-9-2)88(129)106(68)6/h12-15,18-21,26-29,39-41,47-49,55,60-71,92-93,110-112H,8-11,16-17,22-25,30-38,42-46H2,1-7H3,(H2,89,113)(H,90,95)(H,91,114)(H,94,118)(H,96,122)(H,97,115)(H,98,117)(H,99,120)(H,100,124)(H,101,123)(H,102,121)(H,103,119)(H,104,116)/t48-,49-,55+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304267
PNG
(US10143746, Example 10500)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C89H127N19O20S/c1-11-13-25-69-82(121)97-61(37-49(3)4)78(117)103-68(77(116)94-45-73(91)111)47-129-48-74(112)95-64(39-52-29-31-55(110)32-30-52)85(124)104(8)51(7)76(115)96-60(33-34-75(113)114)87(126)107-35-19-28-71(107)84(123)101-66(42-90)80(119)99-63(38-50(5)6)88(127)108-36-20-27-70(108)83(122)98-62(40-53-43-92-58-23-17-15-21-56(53)58)79(118)102-67(46-109)81(120)100-65(41-54-44-93-59-24-18-16-22-57(54)59)86(125)106(10)72(26-14-12-2)89(128)105(69)9/h15-18,21-24,29-32,43-44,49-51,60-72,92-93,109-110H,11-14,19-20,25-28,33-42,45-48,90H2,1-10H3,(H2,91,111)(H,94,116)(H,95,112)(H,96,115)(H,97,121)(H,98,122)(H,99,119)(H,100,120)(H,101,123)(H,102,118)(H,103,117)(H,113,114)/t51-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304270
PNG
(US10143746, Example 10503)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C90H129N19O20S/c1-11-13-25-70-83(122)99-63(39-50(3)4)80(119)104-69(78(117)95-46-74(92)112)48-130-49-75(113)96-66(41-53-29-31-56(111)32-30-53)86(125)105(8)52(7)77(116)98-62(33-34-76(114)115)88(127)108-37-19-27-71(108)84(123)97-61(35-36-91)79(118)101-65(40-51(5)6)89(128)109-38-20-28-72(109)85(124)100-64(42-54-44-93-59-23-17-15-21-57(54)59)81(120)103-68(47-110)82(121)102-67(43-55-45-94-60-24-18-16-22-58(55)60)87(126)107(10)73(26-14-12-2)90(129)106(70)9/h15-18,21-24,29-32,44-45,50-52,61-73,93-94,110-111H,11-14,19-20,25-28,33-43,46-49,91H2,1-10H3,(H2,92,112)(H,95,117)(H,96,113)(H,97,123)(H,98,116)(H,99,122)(H,100,124)(H,101,118)(H,102,121)(H,103,120)(H,104,119)(H,114,115)/t52-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
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Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304269
PNG
(US10143746, Example 10502)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C91H131N19O20S/c1-11-13-27-71-84(123)100-64(40-51(3)4)81(120)105-70(79(118)96-47-75(93)113)49-131-50-76(114)97-67(42-54-31-33-57(112)34-32-54)87(126)106(8)53(7)78(117)99-63(35-36-77(115)116)89(128)109-38-20-29-72(109)85(124)98-62(26-19-37-92)80(119)102-66(41-52(5)6)90(129)110-39-21-30-73(110)86(125)101-65(43-55-45-94-60-24-17-15-22-58(55)60)82(121)104-69(48-111)83(122)103-68(44-56-46-95-61-25-18-16-23-59(56)61)88(127)108(10)74(28-14-12-2)91(130)107(71)9/h15-18,22-25,31-34,45-46,51-53,62-74,94-95,111-112H,11-14,19-21,26-30,35-44,47-50,92H2,1-10H3,(H2,93,113)(H,96,118)(H,97,114)(H,98,124)(H,99,117)(H,100,123)(H,101,125)(H,102,119)(H,103,122)(H,104,121)(H,105,120)(H,115,116)/t53-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304268
PNG
(US10143746, Example 10501)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C92H133N19O20S/c1-11-13-28-72-85(124)101-65(41-52(3)4)82(121)106-71(80(119)97-48-76(94)114)50-132-51-77(115)98-68(43-55-32-34-58(113)35-33-55)88(127)107(8)54(7)79(118)100-64(36-37-78(116)117)90(129)110-39-21-30-73(110)86(125)99-63(27-19-20-38-93)81(120)103-67(42-53(5)6)91(130)111-40-22-31-74(111)87(126)102-66(44-56-46-95-61-25-17-15-23-59(56)61)83(122)105-70(49-112)84(123)104-69(45-57-47-96-62-26-18-16-24-60(57)62)89(128)109(10)75(29-14-12-2)92(131)108(72)9/h15-18,23-26,32-35,46-47,52-54,63-75,95-96,112-113H,11-14,19-22,27-31,36-45,48-51,93H2,1-10H3,(H2,94,114)(H,97,119)(H,98,115)(H,99,125)(H,100,118)(H,101,124)(H,102,126)(H,103,120)(H,104,123)(H,105,122)(H,106,121)(H,116,117)/t54-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair
Human PD-L1-TVMV-His


(Homo sapiens (Human))
BDBM304278
PNG
(US10143746, Example 1503)
Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCNCC(=O)CNC(=O)[C@H](CSCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)[C@@H](C)C(=O)C[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CC(C)C)C(=O)N2)NC(=O)[C@H](C)NC1=O
Show InChI InChI=1S/C89H122N20O19S/c1-10-12-23-71-84(123)97-50(5)77(116)105-70-46-129-47-76(115)98-67(34-52-26-28-57(111)29-27-52)87(126)106(7)51(6)74(113)37-53(38-75(90)114)86(125)109-32-18-25-72(109)85(124)102-66(39-56-42-92-48-96-56)82(121)100-64(33-49(3)4)80(119)99-63(30-31-91-43-58(112)44-95-78(70)117)79(118)101-65(35-54-40-93-61-21-16-14-19-59(54)61)81(120)104-69(45-110)83(122)103-68(36-55-41-94-62-22-17-15-20-60(55)62)88(127)108(9)73(24-13-11-2)89(128)107(71)8/h14-17,19-22,26-29,40-42,48-51,53,63-73,91,93-94,110-111H,10-13,18,23-25,30-39,43-47H2,1-9H3,(H2,90,114)(H,92,96)(H,95,117)(H,97,123)(H,98,115)(H,99,119)(H,100,121)(H,101,118)(H,102,124)(H,103,122)(H,104,120)(H,105,116)/t50-,51-,53-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 993n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins wi...


US Patent US10143746 (2018)

More data for this
Ligand-Target Pair