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Patent code US9872852

Compile Data Set for Download or QSAR

Found 297 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))
BDBM50239947
PNG
(CHEMBL4089730 | US9872852, Example 202)
Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O
Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
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US Patent
n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365922
PNG
(4-{[({2,6-dimethoxy-4- [(2-methyl-3-phenylphenyl) ...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCC1CC(=O)N1
Show InChI InChI=1/C27H30N2O4/c1-18-20(10-7-11-23(18)19-8-5-4-6-9-19)17-33-22-13-25(31-2)24(26(14-22)32-3)16-28-15-21-12-27(30)29-21/h4-11,13-14,21,28H,12,15-17H2,1-3H3,(H,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365862
PNG
((3S)-4-{[(4-{[3-(2,3-dihydro-1,4- benzodioxin-6-yl...)
Show SMILES Cc1c(COc2cc(CNC[C@@H](O)CC(O)=O)ccc2C(F)(F)F)cccc1-c1ccc2OCCOc2c1
Show InChI InChI=1/C28H28F3NO6/c1-17-20(3-2-4-22(17)19-6-8-24-26(12-19)37-10-9-36-24)16-38-25-11-18(5-7-23(25)28(29,30)31)14-32-15-21(33)13-27(34)35/h2-8,11-12,21,32-33H,9-10,13-16H2,1H3,(H,34,35)/t21-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365876
PNG
(2-[3,5-dimethoxy-4-(morpholin- 4-ylmethyl)phenoxym...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCCN1CCOCC1
Show InChI InChI=1S/C29H33N3O4/c1-33-28-17-24(18-29(34-2)27(28)20-31-11-12-32-13-15-35-16-14-32)36-21-23-9-6-10-25(26(23)19-30)22-7-4-3-5-8-22/h3-10,17-18,31H,11-16,20-21H2,1-2H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365885
PNG
(2-[3,5-dimethoxy-4-({[3-(2- oxopyrrolidin-1- yl)pr...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCCCN1CCCC1=O
Show InChI InChI=1S/C30H33N3O4/c1-35-28-17-24(18-29(36-2)27(28)20-32-14-8-16-33-15-7-13-30(33)34)37-21-23-11-6-12-25(26(23)19-31)22-9-4-3-5-10-22/h3-6,9-12,17-18,32H,7-8,13-16,20-21H2,1-2H3
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Bristol-Myers Squibb Company

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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365889
PNG
(2-(3,5-dimethoxy-4-{[(2- methoxyethyl)amino]methyl...)
Show SMILES COCCNCc1c(OC)cc(OCc2cccc(-c3ccccc3)c2C#N)cc1OC
Show InChI InChI=1S/C26H28N2O4/c1-29-13-12-28-17-24-25(30-2)14-21(15-26(24)31-3)32-18-20-10-7-11-22(23(20)16-27)19-8-5-4-6-9-19/h4-11,14-15,28H,12-13,17-18H2,1-3H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365892
PNG
(2-(4-{[(4- hydroxycyclohcxyl)amino] methyl}-3,5- d...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNC1CCC(O)CC1
Show InChI InChI=1S/C29H32N2O4/c1-33-28-15-24(16-29(34-2)27(28)18-31-22-11-13-23(32)14-12-22)35-19-21-9-6-10-25(26(21)17-30)20-7-4-3-5-8-20/h3-10,15-16,22-23,31-32H,11-14,18-19H2,1-2H3
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Bristol-Myers Squibb Company

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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365894
PNG
(2-{3,5-dimethoxy-4- [(methylamino)methyl] phenoxym...)
Show SMILES CNCc1c(OC)cc(OCc2cccc(-c3ccccc3)c2C#N)cc1OC
Show InChI InChI=1S/C24H24N2O3/c1-26-15-22-23(27-2)12-19(13-24(22)28-3)29-16-18-10-7-11-20(21(18)14-25)17-8-5-4-6-9-17/h4-13,26H,15-16H2,1-3H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365897
PNG
(2-{4-[(4-acetylpiperazin-1- yl)methyl]-3,5- dimeth...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCN(CC1)C(C)=O
Show InChI InChI=1S/C29H31N3O4/c1-21(33)32-14-12-31(13-15-32)19-27-28(34-2)16-24(17-29(27)35-3)36-20-23-10-7-11-25(26(23)18-30)22-8-5-4-6-9-22/h4-11,16-17H,12-15,19-20H2,1-3H3
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US Patent


Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365906
PNG
(2-{4-[(3-hydroxypiperidin-1- yl)methyl]-3,5- dimet...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCC(O)C1
Show InChI InChI=1/C28H30N2O4/c1-32-27-14-23(15-28(33-2)26(27)18-30-13-7-11-22(31)17-30)34-19-21-10-6-12-24(25(21)16-29)20-8-4-3-5-9-20/h3-6,8-10,12,14-15,22,31H,7,11,13,17-19H2,1-2H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365933
PNG
(2-(2-{2-[({2,6-dimethoxy-4-[(2- methyl-3- phenylph...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCC(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C29H33N3O7/c1-19-21(10-7-11-23(19)20-8-5-4-6-9-20)18-39-22-12-25(37-2)24(26(13-22)38-3)14-30-15-27(33)31-16-28(34)32-17-29(35)36/h4-13,30H,14-18H2,1-3H3,(H,31,33)(H,32,34)(H,35,36)
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Bristol-Myers Squibb Company

US Patent


Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365934
PNG
((2S)-5-[({2,6-dimethoxy-4-[(2- methyl-3- phenylphe...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCCC[C@H](NC(C)=O)C(O)=O
Show InChI InChI=1/C31H38N2O6/c1-21-24(13-10-14-26(21)23-11-6-5-7-12-23)20-39-25-17-29(37-3)27(30(18-25)38-4)19-32-16-9-8-15-28(31(35)36)33-22(2)34/h5-7,10-14,17-18,28,32H,8-9,15-16,19-20H2,1-4H3,(H,33,34)(H,35,36)/t28-/s2
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365984
PNG
(1-[({2,6-dimethoxy-4-[(2- methyl-3- phenylphenyl)m...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCC(C)O
Show InChI InChI=1/C26H31NO4/c1-18(28)15-27-16-24-25(29-3)13-22(14-26(24)30-4)31-17-21-11-8-12-23(19(21)2)20-9-6-5-7-10-20/h5-14,18,27-28H,15-17H2,1-4H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365985
PNG
(US9872852, Example 237 | {1-[({2,6-dimethoxy-4-[(2...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNC1(CO)CCCC1
Show InChI InChI=1S/C29H35NO4/c1-21-23(12-9-13-25(21)22-10-5-4-6-11-22)19-34-24-16-27(32-2)26(28(17-24)33-3)18-30-29(20-31)14-7-8-15-29/h4-6,9-13,16-17,30-31H,7-8,14-15,18-20H2,1-3H3
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Bristol-Myers Squibb Company

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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365998
PNG
(3-[({2,6-dimethoxy-4- [(2-methyl-3- phenylphenyl)m...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNC(C)C(C)O
Show InChI InChI=1/C27H33NO4/c1-18-22(12-9-13-24(18)21-10-7-6-8-11-21)17-32-23-14-26(30-4)25(27(15-23)31-5)16-28-19(2)20(3)29/h6-15,19-20,28-29H,16-17H2,1-5H3
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Bristol-Myers Squibb Company

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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366000
PNG
((2R)-2-[({2,6-dimethoxy-4-[(2- methyl-3- phenylphe...)
Show SMILES CC[C@H](CO)NCc1c(OC)cc(OCc2cccc(c2C)-c2ccccc2)cc1OC
Show InChI InChI=1/C27H33NO4/c1-5-22(17-29)28-16-25-26(30-3)14-23(15-27(25)31-4)32-18-21-12-9-13-24(19(21)2)20-10-7-6-8-11-20/h6-15,22,28-29H,5,16-18H2,1-4H3/t22-/s2
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Bristol-Myers Squibb Company

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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366027
PNG
((2S,3R)-2-[({2,6-dimethoxy-4- [(2-methyl-3- phenyl...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN[C@@H](CO)[C@@H](C)O
Show InChI InChI=1/C27H33NO5/c1-18-21(11-8-12-23(18)20-9-6-5-7-10-20)17-33-22-13-26(31-3)24(27(14-22)32-4)15-28-25(16-29)19(2)30/h5-14,19,25,28-30H,15-17H2,1-4H3/t19-,25+/s2
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Bristol-Myers Squibb Company

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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365372
PNG
((S)-1-(2,6-dimethoxy-4-((2-methylbiphenyl-3-yl)met...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CC1CCCC[C@H]1C(O)=O
Show InChI InChI=1/C30H34O5/c1-20-23(13-9-15-25(20)21-10-5-4-6-11-21)19-35-24-17-28(33-2)27(29(18-24)34-3)16-22-12-7-8-14-26(22)30(31)32/h4-6,9-11,13,15,17-18,22,26H,7-8,12,14,16,19H2,1-3H3,(H,31,32)/t22?,26-/s2
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Bristol-Myers Squibb Company

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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365754
PNG
(({2,6-dimethoxy-4-[(2-methyl-3- phenylphenyl)metho...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNC(C)(C)CN1CCN(C)CC1
Show InChI InChI=1S/C32H43N3O3/c1-24-26(13-10-14-28(24)25-11-8-7-9-12-25)22-38-27-19-30(36-5)29(31(20-27)37-6)21-33-32(2,3)23-35-17-15-34(4)16-18-35/h7-14,19-20,33H,15-18,21-23H2,1-6H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365826
PNG
((2S)-2-[({3-chloro-4-[(2-methyl-3- phenylphenyl)me...)
Show SMILES C[C@H](NCc1ccc(OCc2cccc(c2C)-c2ccccc2)c(Cl)c1)C(O)=O
Show InChI InChI=1/C24H24ClNO3/c1-16-20(9-6-10-21(16)19-7-4-3-5-8-19)15-29-23-12-11-18(13-22(23)25)14-26-17(2)24(27)28/h3-13,17,26H,14-15H2,1-2H3,(H,27,28)/t17-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365860
PNG
((2S)-1-[(4-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-...)
Show SMILES Cc1c(COc2cc(CN3CCCC[C@H]3C(O)=O)ccc2C(F)(F)F)cccc1-c1ccc2OCCOc2c1
Show InChI InChI=1/C30H30F3NO5/c1-19-22(5-4-6-23(19)21-9-11-26-28(16-21)38-14-13-37-26)18-39-27-15-20(8-10-24(27)30(31,32)33)17-34-12-3-2-7-25(34)29(35)36/h4-6,8-11,15-16,25H,2-3,7,12-14,17-18H2,1H3,(H,35,36)/t25-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365896
PNG
(2-{3,5-dimethoxy-4-[(2- methylpyrrolidin-1- yl)met...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCC1C
Show InChI InChI=1/C28H30N2O3/c1-20-9-8-14-30(20)18-26-27(31-2)15-23(16-28(26)32-3)33-19-22-12-7-13-24(25(22)17-29)21-10-5-4-6-11-21/h4-7,10-13,15-16,20H,8-9,14,18-19H2,1-3H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365898
PNG
(2-[3,5-dimethoxy-4-(pyrrolidin-1- ylmethyl)phenoxy...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCC1
Show InChI InChI=1S/C27H28N2O3/c1-30-26-15-22(16-27(31-2)25(26)18-29-13-6-7-14-29)32-19-21-11-8-12-23(24(21)17-28)20-9-4-3-5-10-20/h3-5,8-12,15-16H,6-7,13-14,18-19H2,1-2H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365899
PNG
(2-(4-{[3-(hydroxymethyl) piperidin-1-yl]methyl}-3,...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCC(CO)C1
Show InChI InChI=1/C29H32N2O4/c1-33-28-14-24(15-29(34-2)27(28)18-31-13-7-8-21(17-31)19-32)35-20-23-11-6-12-25(26(23)16-30)22-9-4-3-5-10-22/h3-6,9-12,14-15,21,32H,7-8,13,17-20H2,1-2H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365902
PNG
(2-{4-[(4-acetyl-1,4-diazepan-1- yl)methyl]-3,5- di...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCN(CC1)C(C)=O
Show InChI InChI=1S/C30H33N3O4/c1-22(34)33-14-8-13-32(15-16-33)20-28-29(35-2)17-25(18-30(28)36-3)37-21-24-11-7-12-26(27(24)19-31)23-9-5-4-6-10-23/h4-7,9-12,17-18H,8,13-16,20-21H2,1-3H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365909
PNG
((2S)-1-({4-[(2-cyano-3- phenylphenyl)methoxy]-2,6-...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCC[C@@H]1C(O)=O
Show InChI InChI=1/C29H30N2O5/c1-34-27-15-22(16-28(35-2)25(27)18-31-14-7-6-13-26(31)29(32)33)36-19-21-11-8-12-23(24(21)17-30)20-9-4-3-5-10-20/h3-5,8-12,15-16,26H,6-7,13-14,18-19H2,1-2H3,(H,32,33)/t26-/s2
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365926
PNG
(4-[({2,6-dimethoxy-4-[(2-methyl- 3-phenylphenyl)me...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCC(O)C(O)=O
Show InChI InChI=1/C27H31NO6/c1-18-20(10-7-11-22(18)19-8-5-4-6-9-19)17-34-21-14-25(32-2)23(26(15-21)33-3)16-28-13-12-24(29)27(30)31/h4-11,14-15,24,28-29H,12-13,16-17H2,1-3H3,(H,30,31)
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365990
PNG
((2S)-2-[({2,6-dimethoxy-4-[(2- methyl-3- phenylphe...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN[C@H](CO)C(C)C
Show InChI InChI=1/C28H35NO4/c1-19(2)26(17-30)29-16-25-27(31-4)14-23(15-28(25)32-5)33-18-22-12-9-13-24(20(22)3)21-10-7-6-8-11-21/h6-15,19,26,29-30H,16-18H2,1-5H3/t26-/s2
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365996
PNG
(1-[({2,6-dimethoxy-4- [(2-methyl-3- phenylphenyl)m...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCC(C)(C)O
Show InChI InChI=1S/C27H33NO4/c1-19-21(12-9-13-23(19)20-10-7-6-8-11-20)17-32-22-14-25(30-4)24(26(15-22)31-5)16-28-18-27(2,3)29/h6-15,28-29H,16-18H2,1-5H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366005
PNG
(1-[({2,6-dimethoxy-4- [(2-methyl-3- phenylphenyl)m...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCC(O)C(C)C
Show InChI InChI=1/C28H35NO4/c1-19(2)26(30)17-29-16-25-27(31-4)14-23(15-28(25)32-5)33-18-22-12-9-13-24(20(22)3)21-10-7-6-8-11-21/h6-15,19,26,29-30H,16-18H2,1-5H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366006
PNG
(({2,6-dimethoxy-4-[(2-methyl-3- phenylphenyl)metho...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCC(O)CN(C)C
Show InChI InChI=1/C28H36N2O4/c1-20-22(12-9-13-25(20)21-10-7-6-8-11-21)19-34-24-14-27(32-4)26(28(15-24)33-5)17-29-16-23(31)18-30(2)3/h6-15,23,29,31H,16-19H2,1-5H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366017
PNG
((2S)-2-cyclohexyl-2-[({2,6- dimethoxy-4-[(2-methyl...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN[C@H](CO)C1CCCCC1
Show InChI InChI=1/C31H39NO4/c1-22-25(15-10-16-27(22)23-11-6-4-7-12-23)21-36-26-17-30(34-2)28(31(18-26)35-3)19-32-29(20-33)24-13-8-5-9-14-24/h4,6-7,10-12,15-18,24,29,32-33H,5,8-9,13-14,19-21H2,1-3H3/t29-/s2
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366019
PNG
(2-[({2,6-dimethoxy-4- [(2-methyl-3- phenylphenyl)m...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCC(O)c1nccn1C
Show InChI InChI=1/C29H33N3O4/c1-20-22(11-8-12-24(20)21-9-6-5-7-10-21)19-36-23-15-27(34-3)25(28(16-23)35-4)17-30-18-26(33)29-31-13-14-32(29)2/h5-16,26,30,33H,17-19H2,1-4H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366031
PNG
((2S)-2-[({2,6-dimethoxy-4-[(2- methyl-3- phenylphe...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN[C@H](CO)c1ccccc1
Show InChI InChI=1/C31H33NO4/c1-22-25(15-10-16-27(22)23-11-6-4-7-12-23)21-36-26-17-30(34-2)28(31(18-26)35-3)19-32-29(20-33)24-13-8-5-9-14-24/h4-18,29,32-33H,19-21H2,1-3H3/t29-/s2
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366039
PNG
(US9872852, Example 291 | [(4-{[3-(2,3-dihydro-1,4-...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc(OC)c1CNC(C)(C)CN1CCN(C)CC1
Show InChI InChI=1S/C34H45N3O5/c1-24-26(8-7-9-28(24)25-10-11-30-33(18-25)41-17-16-40-30)22-42-27-19-31(38-5)29(32(20-27)39-6)21-35-34(2,3)23-37-14-12-36(4)13-15-37/h7-11,18-20,35H,12-17,21-23H2,1-6H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM50239942
PNG
(CHEMBL4081869 | US9872852, Example 37)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCNC(C)=O
Show InChI InChI=1S/C27H32N2O4/c1-19-22(11-8-12-24(19)21-9-6-5-7-10-21)18-33-23-15-26(31-3)25(27(16-23)32-4)17-28-13-14-29-20(2)30/h5-12,15-16,28H,13-14,17-18H2,1-4H3,(H,29,30)
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365851
PNG
(2-[({2,6-dimethoxy-4-[(2-methyl- 3-phenylphenyl) m...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCO
Show InChI InChI=1S/C25H29NO4/c1-18-20(10-7-11-22(18)19-8-5-4-6-9-19)17-30-21-14-24(28-2)23(16-26-12-13-27)25(15-21)29-3/h4-11,14-15,26-27H,12-13,16-17H2,1-3H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365858
PNG
(4-{[({3-methyl-4-[(2-methyl-3- phenylphenyl)methox...)
Show SMILES Cc1cc(CNCC2CC(=O)N2)ccc1OCc1cccc(c1C)-c1ccccc1
Show InChI InChI=1/C26H28N2O2/c1-18-13-20(15-27-16-23-14-26(29)28-23)11-12-25(18)30-17-22-9-6-10-24(19(22)2)21-7-4-3-5-8-21/h3-13,23,27H,14-17H2,1-2H3,(H,28,29)
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365859
PNG
((3S)-4-[({2,6-dimethoxy-4-[(2- methyl-3-phenylphen...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNC[C@@H](O)CC(O)=O
Show InChI InChI=1/C27H31NO6/c1-18-20(10-7-11-23(18)19-8-5-4-6-9-19)17-34-22-13-25(32-2)24(26(14-22)33-3)16-28-15-21(29)12-27(30)31/h4-11,13-14,21,28-29H,12,15-17H2,1-3H3,(H,30,31)/t21-/s2
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365882
PNG
(2-{4-[(cyclobutylamino)methyl]- 3,5-dimethoxypheno...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNC1CCC1
Show InChI InChI=1S/C27H28N2O3/c1-30-26-14-22(15-27(31-2)25(26)17-29-21-11-7-12-21)32-18-20-10-6-13-23(24(20)16-28)19-8-4-3-5-9-19/h3-6,8-10,13-15,21,29H,7,11-12,17-18H2,1-2H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365884
PNG
(2-{4-[(cyclohexylamino)methyl]- 3,5-dimethoxypheno...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNC1CCCCC1
Show InChI InChI=1S/C29H32N2O3/c1-32-28-16-24(17-29(33-2)27(28)19-31-23-13-7-4-8-14-23)34-20-22-12-9-15-25(26(22)18-30)21-10-5-3-6-11-21/h3,5-6,9-12,15-17,23,31H,4,7-8,13-14,19-20H2,1-2H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365887
PNG
(N-{2-[({4-[(2-cyano-3- phenylphenyl)methoxy]-2,6- ...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCCNC(C)=O
Show InChI InChI=1S/C27H29N3O4/c1-19(31)30-13-12-29-17-25-26(32-2)14-22(15-27(25)33-3)34-18-21-10-7-11-23(24(21)16-28)20-8-5-4-6-9-20/h4-11,14-15,29H,12-13,17-18H2,1-3H3,(H,30,31)
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365893
PNG
(3-[({4-[(2-cyano-3- phenylphenyl)methoxy]-2,6- dim...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCCC(N)=O
Show InChI InChI=1S/C26H27N3O4/c1-31-24-13-20(14-25(32-2)23(24)16-29-12-11-26(28)30)33-17-19-9-6-10-21(22(19)15-27)18-7-4-3-5-8-18/h3-10,13-14,29H,11-12,16-17H2,1-2H3,(H2,28,30)
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Bristol-Myers Squibb Company

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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365929
PNG
(1-{2,6-dimethoxy-4-[(2-methyl- 3-phenylphenyl)meth...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCOCCOCCOCCO
Show InChI InChI=1S/C31H41NO7/c1-24-26(10-7-11-28(24)25-8-5-4-6-9-25)23-39-27-20-30(34-2)29(31(21-27)35-3)22-32-12-14-36-16-18-38-19-17-37-15-13-33/h4-11,20-21,32-33H,12-19,22-23H2,1-3H3
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Bristol-Myers Squibb Company

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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM50239944
PNG
(CHEMBL4061613 | US9872852, Example 241)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN[C@@H](CO)C(C)C
Show InChI InChI=1/C28H35NO4/c1-19(2)26(17-30)29-16-25-27(31-4)14-23(15-28(25)32-5)33-18-22-12-9-13-24(20(22)3)21-10-7-6-8-11-21/h6-15,19,26,29-30H,16-18H2,1-5H3/t26-/s2
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Bristol-Myers Squibb Company

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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366001
PNG
((2S)-1-[({2,6-dimethoxy-4-[(2- methyl-3- phenylphe...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNC[C@H](C)O
Show InChI InChI=1/C26H31NO4/c1-18(28)15-27-16-24-25(29-3)13-22(14-26(24)30-4)31-17-21-11-8-12-23(19(21)2)20-9-6-5-7-10-20/h5-14,18,27-28H,15-17H2,1-4H3/t18-/s2
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366003
PNG
((1S,2R)-2-[({2,6-dimethoxy-4- [(2-methyl-3- phenyl...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN[C@@H]1CCCC[C@@H]1O
Show InChI InChI=1/C29H35NO4/c1-20-22(12-9-13-24(20)21-10-5-4-6-11-21)19-34-23-16-28(32-2)25(29(17-23)33-3)18-30-26-14-7-8-15-27(26)31/h4-6,9-13,16-17,26-27,30-31H,7-8,14-15,18-19H2,1-3H3/t26-,27+/s2
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366015
PNG
(2-[({2,6-dimethoxy-4- [(2-methyl-3- phenylphenyl)m...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCC(O)c1cccnc1
Show InChI InChI=1/C30H32N2O4/c1-21-24(11-7-13-26(21)22-9-5-4-6-10-22)20-36-25-15-29(34-2)27(30(16-25)35-3)18-32-19-28(33)23-12-8-14-31-17-23/h4-17,28,32-33H,18-20H2,1-3H3
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM366043
PNG
((3S)-4-[({4-[(2-cyano-3- phenylphenyl)methoxy]-2,6...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNC[C@@H](O)CC(O)=O
Show InChI InChI=1/C27H28N2O6/c1-33-25-12-21(13-26(34-2)24(25)16-29-15-20(30)11-27(31)32)35-17-19-9-6-10-22(23(19)14-28)18-7-4-3-5-8-18/h3-10,12-13,20,29-30H,11,15-17H2,1-2H3,(H,31,32)/t20-/s2
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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365801
PNG
(1-({3-methyl-4-[(2-methyl-3- phenylphenyl)methoxy]...)
Show SMILES Cc1cc(CN2CCCCC2C(O)=O)ccc1OCc1cccc(c1C)-c1ccccc1
Show InChI InChI=1/C28H31NO3/c1-20-17-22(18-29-16-7-6-13-26(29)28(30)31)14-15-27(20)32-19-24-11-8-12-25(21(24)2)23-9-4-3-5-10-23/h3-5,8-12,14-15,17,26H,6-7,13,16,18-19H2,1-2H3,(H,30,31)
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Bristol-Myers Squibb Company

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Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)

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