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Patent code US10882844

Compile Data Set for Download or QSAR
Found 48 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))
BDBM474557
PNG
(US10882844, Example 1017)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCOCC1
Show InChI InChI=1S/C40H39ClN4O6/c1-25-30(5-4-6-32(25)29-8-9-36-34(17-29)44-39(51-36)28-10-13-48-14-11-28)24-50-38-18-37(49-23-27-15-26(19-42)20-43-21-27)31(16-33(38)41)22-45-12-3-2-7-35(45)40(46)47/h4-6,8-9,15-18,20-21,28,35H,2-3,7,10-14,22-24H2,1H3,(H,46,47)/t35-/m0/s1
PDB

UniProtKB/SwissProt
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PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477014
PNG
(US10882844, Example 1030)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2ncc(nc2c1)C1=CCNCC1
Show InChI InChI=1S/C41H39ClN6O4/c1-26-31(5-4-6-33(26)30-8-9-35-36(17-30)47-37(22-46-35)29-10-12-44-13-11-29)25-52-40-18-39(51-24-28-15-27(19-43)20-45-21-28)32(16-34(40)42)23-48-14-3-2-7-38(48)41(49)50/h4-6,8-10,15-18,20-22,38,44H,2-3,7,11-14,23-25H2,1H3,(H,49,50)/t38-/m0/s1
PDB

UniProtKB/SwissProt
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PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477031
PNG
(US10882844, Example 2009)
Show SMILES CN1CCN(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)CO)cc2Cl)c1C
Show InChI InChI=1S/C38H41ClN6O5/c1-25-29(5-4-6-31(25)28-7-8-34-33(15-28)43-37(50-34)45-11-9-44(3)10-12-45)22-49-36-16-35(48-21-27-13-26(17-40)18-41-19-27)30(14-32(36)39)20-42-38(2,23-46)24-47/h4-8,13-16,18-19,42,46-47H,9-12,20-24H2,1-3H3
PDB

UniProtKB/SwissProt
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PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477039
PNG
(US10882844, Example 2017)
Show SMILES CN(Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3oc(nc3c2)N2CCN(C)CC2)cc1OCc1cncc(c1)C#N)[C@@](C)(CO)C(O)=O
Show InChI InChI=1S/C39H41ClN6O6/c1-25-29(6-5-7-31(25)28-8-9-34-33(16-28)43-38(52-34)46-12-10-44(3)11-13-46)23-51-36-17-35(50-22-27-14-26(18-41)19-42-20-27)30(15-32(36)40)21-45(4)39(2,24-47)37(48)49/h5-9,14-17,19-20,47H,10-13,21-24H2,1-4H3,(H,48,49)/t39-/m0/s1
PDB

UniProtKB/SwissProt
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PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477027
PNG
(US10882844, Example 2004)
Show SMILES CN[C@H]1C[C@@H](C)N(C1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN(C)C(C)(CO)CO)cc2Cl)c1C
Show InChI InChI=1S/C40H45ClN6O5/c1-25-11-32(43-4)20-47(25)39-45-35-14-29(9-10-36(35)52-39)33-8-6-7-30(26(33)2)22-51-38-15-37(50-21-28-12-27(16-42)17-44-18-28)31(13-34(38)41)19-46(5)40(3,23-48)24-49/h6-10,12-15,17-18,25,32,43,48-49H,11,19-24H2,1-5H3/t25-,32+/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474518
PNG
(US10882844, Example 1001)
Show SMILES CN1CCC(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C41H42ClN5O5/c1-26-31(6-5-7-33(26)30-9-10-37-35(18-30)45-40(52-37)29-11-14-46(2)15-12-29)25-51-39-19-38(50-24-28-16-27(20-43)21-44-22-28)32(17-34(39)42)23-47-13-4-3-8-36(47)41(48)49/h5-7,9-10,16-19,21-22,29,36H,3-4,8,11-15,23-25H2,1-2H3,(H,48,49)/t36-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477026
PNG
(US10882844, Example 2003)
Show SMILES C[C@@H]1C[C@H](N)CN1c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CNC(CO)CO)cc2Cl)c1C
Show InChI InChI=1S/C37H39ClN6O5/c1-22-8-29(40)17-44(22)37-43-33-11-26(6-7-34(33)49-37)31-5-3-4-27(23(31)2)21-48-36-12-35(47-20-25-9-24(13-39)14-41-15-25)28(10-32(36)38)16-42-30(18-45)19-46/h3-7,9-12,14-15,22,29-30,42,45-46H,8,16-21,40H2,1-2H3/t22-,29+/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474547
PNG
(US10882844, Example 1012)
Show SMILES CCN(CC)C1CCC(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C45H50ClN5O5/c1-4-50(5-2)36-15-12-32(13-16-36)44-49-39-21-33(14-17-41(39)56-44)37-10-8-9-34(29(37)3)28-55-43-22-42(54-27-31-19-30(23-47)24-48-25-31)35(20-38(43)46)26-51-18-7-6-11-40(51)45(52)53/h8-10,14,17,19-22,24-25,32,36,40H,4-7,11-13,15-16,18,26-28H2,1-3H3,(H,52,53)/t32?,36?,40-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477037
PNG
(US10882844, Example 2015)
Show SMILES CN(Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3oc(nc3c2)N2CCN(C)CC2)cc1OCc1cncc(c1)C#N)C(C)(CO)CO
Show InChI InChI=1S/C39H43ClN6O5/c1-26-30(6-5-7-32(26)29-8-9-35-34(16-29)43-38(51-35)46-12-10-44(3)11-13-46)23-50-37-17-36(49-22-28-14-27(18-41)19-42-20-28)31(15-33(37)40)21-45(4)39(2,24-47)25-48/h5-9,14-17,19-20,47-48H,10-13,21-25H2,1-4H3
PDB

UniProtKB/SwissProt
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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474556
PNG
(US10882844, Example 1016)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCN(CC(O)=O)CC1
Show InChI InChI=1S/C42H42ClN5O7/c1-26-31(5-4-6-33(26)30-8-9-37-35(17-30)46-41(55-37)29-10-13-47(14-11-29)23-40(49)50)25-54-39-18-38(53-24-28-15-27(19-44)20-45-21-28)32(16-34(39)43)22-48-12-3-2-7-36(48)42(51)52/h4-6,8-9,15-18,20-21,29,36H,2-3,7,10-14,22-25H2,1H3,(H,49,50)(H,51,52)/t36-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474566
PNG
((S)-1-(2-(4-carboxycyclohexyl)benzo[d]oxazol-5-yl)...)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCC(CC1)C(O)=O
Show InChI InChI=1S/C42H41ClN4O7/c1-25-31(5-4-6-33(25)30-12-13-37-35(17-30)46-40(54-37)28-8-10-29(11-9-28)41(48)49)24-53-39-18-38(52-23-27-15-26(19-44)20-45-21-27)32(16-34(39)43)22-47-14-3-2-7-36(47)42(50)51/h4-6,12-13,15-18,20-21,28-29,36H,2-3,7-11,14,22-24H2,1H3,(H,48,49)(H,50,51)/t28?,29?,36-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477028
PNG
(US10882844, Example 2006)
Show SMILES C[C@@H]1C[C@H](N)CN1c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)CO)cc2Cl)c1C
Show InChI InChI=1S/C38H41ClN6O5/c1-23-9-30(41)18-45(23)37-44-33-12-27(7-8-34(33)50-37)31-6-4-5-28(24(31)2)20-49-36-13-35(48-19-26-10-25(14-40)15-42-16-26)29(11-32(36)39)17-43-38(3,21-46)22-47/h4-8,10-13,15-16,23,30,43,46-47H,9,17-22,41H2,1-3H3/t23-,30+/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474561
PNG
(US10882844, Example 1020)
Show SMILES CN1CCC(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C39H40ClN5O6/c1-24-29(5-4-6-31(24)28-7-8-34-33(15-28)44-37(51-34)27-9-11-45(3)12-10-27)22-50-36-16-35(49-21-26-13-25(17-41)18-42-19-26)30(14-32(36)40)20-43-39(2,23-46)38(47)48/h4-8,13-16,18-19,27,43,46H,9-12,20-23H2,1-3H3,(H,47,48)/t39-/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474543
PNG
(US10882844, Example 1008)
Show SMILES CN1CCC(C1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C40H40ClN5O5/c1-25-30(6-5-7-32(25)28-9-10-36-34(16-28)44-39(51-36)29-11-13-45(2)21-29)24-50-38-17-37(49-23-27-14-26(18-42)19-43-20-27)31(15-33(38)41)22-46-12-4-3-8-35(46)40(47)48/h5-7,9-10,14-17,19-20,29,35H,3-4,8,11-13,21-24H2,1-2H3,(H,47,48)/t29?,35-/m0/s1
PDB

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UniChem
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n/an/a 0.670n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477010
PNG
(US10882844, Example 1027)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2ncc(nc2c1)C1=CCCNC1
Show InChI InChI=1S/C41H39ClN6O4/c1-26-31(6-4-8-33(26)29-10-11-35-36(16-29)47-37(22-46-35)30-7-5-12-44-21-30)25-52-40-17-39(51-24-28-14-27(18-43)19-45-20-28)32(15-34(40)42)23-48-13-3-2-9-38(48)41(49)50/h4,6-8,10-11,14-17,19-20,22,38,44H,2-3,5,9,12-13,21,23-25H2,1H3,(H,49,50)/t38-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474534
PNG
(US10882844, Example 1002)
Show SMILES CN1CCC(CC1)c1nc2ccc(cc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C41H42ClN5O5/c1-26-31(6-5-7-33(26)30-9-10-35-39(18-30)52-40(45-35)29-11-14-46(2)15-12-29)25-51-38-19-37(50-24-28-16-27(20-43)21-44-22-28)32(17-34(38)42)23-47-13-4-3-8-36(47)41(48)49/h5-7,9-10,16-19,21-22,29,36H,3-4,8,11-15,23-25H2,1-2H3,(H,48,49)/t36-/m0/s1
PDB

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



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477029
PNG
(US10882844, Example 2007)
Show SMILES CN1CCN(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C40H41ClN6O5/c1-26-30(6-5-7-32(26)29-9-10-36-34(18-29)44-40(52-36)46-14-12-45(2)13-15-46)25-51-38-19-37(50-24-28-16-27(20-42)21-43-22-28)31(17-33(38)41)23-47-11-4-3-8-35(47)39(48)49/h5-7,9-10,16-19,21-22,35H,3-4,8,11-15,23-25H2,1-2H3,(H,48,49)/t35-/m0/s1
PDB

UniProtKB/SwissProt
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PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477012
PNG
(US10882844, Example 1029)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2ncc(nc2c1)C1=CC2CCC(C1)N2
Show InChI InChI=1S/C43H41ClN6O4/c1-26-30(5-4-6-35(26)29-8-11-37-38(17-29)49-39(22-47-37)31-14-33-9-10-34(15-31)48-33)25-54-42-18-41(53-24-28-13-27(19-45)20-46-21-28)32(16-36(42)44)23-50-12-3-2-7-40(50)43(51)52/h4-6,8,11,13-14,16-18,20-22,33-34,40,48H,2-3,7,9-10,12,15,23-25H2,1H3,(H,51,52)/t33?,34?,40-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474554
PNG
(US10882844, Example 1014)
Show SMILES CN1C2CCC1CC(C2)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C43H44ClN5O5/c1-26-30(6-5-7-35(26)29-9-12-39-37(18-29)47-42(54-39)31-15-33-10-11-34(16-31)48(33)2)25-53-41-19-40(52-24-28-14-27(20-45)21-46-22-28)32(17-36(41)44)23-49-13-4-3-8-38(49)43(50)51/h5-7,9,12,14,17-19,21-22,31,33-34,38H,3-4,8,10-11,13,15-16,23-25H2,1-2H3,(H,50,51)/t31?,33?,34?,38-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474538
PNG
(US10882844, Example 1005)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCN(CC1)C1CC1
Show InChI InChI=1S/C43H44ClN5O5/c1-27-32(5-4-6-35(27)31-8-11-39-37(19-31)47-42(54-39)30-12-15-48(16-13-30)34-9-10-34)26-53-41-20-40(52-25-29-17-28(21-45)22-46-23-29)33(18-36(41)44)24-49-14-3-2-7-38(49)43(50)51/h4-6,8,11,17-20,22-23,30,34,38H,2-3,7,9-10,12-16,24-26H2,1H3,(H,50,51)/t38-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474536
PNG
(US10882844, Example 1004)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCNCC1
Show InChI InChI=1S/C40H40ClN5O5/c1-25-30(5-4-6-32(25)29-8-9-36-34(17-29)45-39(51-36)28-10-12-43-13-11-28)24-50-38-18-37(49-23-27-15-26(19-42)20-44-21-27)31(16-33(38)41)22-46-14-3-2-7-35(46)40(47)48/h4-6,8-9,15-18,20-21,28,35,43H,2-3,7,10-14,22-24H2,1H3,(H,47,48)/t35-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477033
PNG
(US10882844, Example 2011)
Show SMILES CN1CCN(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C38H39ClN6O6/c1-24-28(5-4-6-30(24)27-7-8-33-32(15-27)43-37(51-33)45-11-9-44(3)10-12-45)22-50-35-16-34(49-21-26-13-25(17-40)18-41-19-26)29(14-31(35)39)20-42-38(2,23-46)36(47)48/h4-8,13-16,18-19,42,46H,9-12,20-23H2,1-3H3,(H,47,48)/t38-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477032
PNG
(US10882844, Example 2010)
Show SMILES CN1CCN(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@H](CO)C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C37H37ClN6O6/c1-23-27(4-3-5-29(23)26-6-7-33-31(14-26)42-37(50-33)44-10-8-43(2)9-11-44)22-49-35-15-34(48-21-25-12-24(16-39)17-40-18-25)28(13-30(35)38)19-41-32(20-45)36(46)47/h3-7,12-15,17-18,32,41,45H,8-11,19-22H2,1-2H3,(H,46,47)/t32-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474542
PNG
(US10882844, Example 1007)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C40H34ClN5O5/c1-25-30(5-4-6-32(25)29-8-9-36-34(17-29)45-39(51-36)28-10-12-43-13-11-28)24-50-38-18-37(49-23-27-15-26(19-42)20-44-21-27)31(16-33(38)41)22-46-14-3-2-7-35(46)40(47)48/h4-6,8-13,15-18,20-21,35H,2-3,7,14,22-24H2,1H3,(H,47,48)/t35-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474535
PNG
(US10882844, Example 1003)
Show SMILES CN1CCCC(C1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C41H42ClN5O5/c1-26-31(7-5-9-33(26)29-11-12-37-35(17-29)45-40(52-37)30-8-6-13-46(2)22-30)25-51-39-18-38(50-24-28-15-27(19-43)20-44-21-28)32(16-34(39)42)23-47-14-4-3-10-36(47)41(48)49/h5,7,9,11-12,15-18,20-21,30,36H,3-4,6,8,10,13-14,22-25H2,1-2H3,(H,48,49)/t30?,36-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474541
PNG
(US10882844, Example 1006)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CC2CCC(C1)N2
Show InChI InChI=1S/C42H42ClN5O5/c1-25-29(5-4-6-34(25)28-8-11-38-36(17-28)47-41(53-38)30-14-32-9-10-33(15-30)46-32)24-52-40-18-39(51-23-27-13-26(19-44)20-45-21-27)31(16-35(40)43)22-48-12-3-2-7-37(48)42(49)50/h4-6,8,11,13,16-18,20-21,30,32-33,37,46H,2-3,7,9-10,12,14-15,22-24H2,1H3,(H,49,50)/t30?,32?,33?,37-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474548
PNG
(US10882844, Example 1013)
Show SMILES CC(C)N1CCC(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C43H46ClN5O5/c1-27(2)48-15-12-31(13-16-48)42-47-37-19-32(10-11-39(37)54-42)35-8-6-7-33(28(35)3)26-53-41-20-40(52-25-30-17-29(21-45)22-46-23-30)34(18-36(41)44)24-49-14-5-4-9-38(49)43(50)51/h6-8,10-11,17-20,22-23,27,31,38H,4-5,9,12-16,24-26H2,1-3H3,(H,50,51)/t38-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474559
PNG
(US10882844, Example 1018)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CC2CCC(C1)O2
Show InChI InChI=1S/C42H41ClN4O6/c1-25-29(5-4-6-34(25)28-8-11-38-36(17-28)46-41(53-38)30-14-32-9-10-33(15-30)52-32)24-51-40-18-39(50-23-27-13-26(19-44)20-45-21-27)31(16-35(40)43)22-47-12-3-2-7-37(47)42(48)49/h4-6,8,11,13,16-18,20-21,30,32-33,37H,2-3,7,9-10,12,14-15,22-24H2,1H3,(H,48,49)/t30?,32?,33?,37-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477036
PNG
(US10882844, Example 2014)
Show SMILES CN(Cc1cc(Cl)c(OCc2cccc(-c3ccc4oc(nc4c3)N3CCN(C)CC3)c2C)cc1OCc1cncc(c1)C#N)C(CO)CO
Show InChI InChI=1S/C38H41ClN6O5/c1-25-29(5-4-6-32(25)28-7-8-35-34(15-28)42-38(50-35)45-11-9-43(2)10-12-45)24-49-37-16-36(48-23-27-13-26(17-40)18-41-19-27)30(14-33(37)39)20-44(3)31(21-46)22-47/h4-8,13-16,18-19,31,46-47H,9-12,20-24H2,1-3H3
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477035
PNG
(US10882844, Example 2013)
Show SMILES CC(C)[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3oc(nc3c2)N2CCN(C)CC2)cc1OCc1cncc(c1)C#N)C(O)=O
Show InChI InChI=1S/C39H41ClN6O5/c1-24(2)37(38(47)48)43-21-30-15-32(40)36(17-35(30)49-22-27-14-26(18-41)19-42-20-27)50-23-29-6-5-7-31(25(29)3)28-8-9-34-33(16-28)44-39(51-34)46-12-10-45(4)11-13-46/h5-9,14-17,19-20,24,37,43H,10-13,21-23H2,1-4H3,(H,47,48)/t37-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474565
PNG
(US10882844, Example 1024)
Show SMILES COC(=O)C1CCC(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C43H43ClN4O7/c1-26-32(6-5-7-34(26)31-13-14-38-36(18-31)47-41(55-38)29-9-11-30(12-10-29)43(51)52-2)25-54-40-19-39(53-24-28-16-27(20-45)21-46-22-28)33(17-35(40)44)23-48-15-4-3-8-37(48)42(49)50/h5-7,13-14,16-19,21-22,29-30,37H,3-4,8-12,15,23-25H2,1-2H3,(H,49,50)/t29?,30?,37-/m0/s1
PDB

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Bristol-Myers Squibb Company

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Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474546
PNG
(US10882844, Example 1011)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1(C)CCNCC1
Show InChI InChI=1S/C41H42ClN5O5/c1-26-30(6-5-7-32(26)29-9-10-36-34(18-29)46-40(52-36)41(2)11-13-44-14-12-41)25-51-38-19-37(50-24-28-16-27(20-43)21-45-22-28)31(17-33(38)42)23-47-15-4-3-8-35(47)39(48)49/h5-7,9-10,16-19,21-22,35,44H,3-4,8,11-15,23-25H2,1-2H3,(H,48,49)/t35-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474545
PNG
(US10882844, Example 1010)
Show SMILES CN1CCC(CC1)c1nc2c(C)c(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C42H44ClN5O5/c1-26-31(7-6-8-33(26)34-10-11-37-40(27(34)2)46-41(53-37)30-12-15-47(3)16-13-30)25-52-39-19-38(51-24-29-17-28(20-44)21-45-22-29)32(18-35(39)43)23-48-14-5-4-9-36(48)42(49)50/h6-8,10-11,17-19,21-22,30,36H,4-5,9,12-16,23-25H2,1-3H3,(H,49,50)/t36-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474544
PNG
(US10882844, Example 1009)
Show SMILES CN1CCC(CC1)c1nc2cc(cc(C)c2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C42H44ClN5O5/c1-26-15-32(18-36-40(26)53-41(46-36)30-10-13-47(3)14-11-30)34-8-6-7-31(27(34)2)25-52-39-19-38(51-24-29-16-28(20-44)21-45-22-29)33(17-35(39)43)23-48-12-5-4-9-37(48)42(49)50/h6-8,15-19,21-22,30,37H,4-5,9-14,23-25H2,1-3H3,(H,49,50)/t37-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477040
PNG
(US10882844, Example 2018)
Show SMILES CCC[C@H](N(C)Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3oc(nc3c2)N2CCN(C)CC2)cc1OCc1cncc(c1)C#N)C(O)=O
Show InChI InChI=1S/C40H43ClN6O5/c1-5-7-35(39(48)49)46(4)23-31-17-33(41)38(19-37(31)50-24-28-16-27(20-42)21-43-22-28)51-25-30-8-6-9-32(26(30)2)29-10-11-36-34(18-29)44-40(52-36)47-14-12-45(3)13-15-47/h6,8-11,16-19,21-22,35H,5,7,12-15,23-25H2,1-4H3,(H,48,49)/t35-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477038
PNG
(US10882844, Example 2016)
Show SMILES CN(Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3oc(nc3c2)N2CCN(C)CC2)cc1OCc1cncc(c1)C#N)[C@@H](CO)C(O)=O
Show InChI InChI=1S/C38H39ClN6O6/c1-24-28(5-4-6-30(24)27-7-8-34-32(15-27)42-38(51-34)45-11-9-43(2)10-12-45)23-50-36-16-35(49-22-26-13-25(17-40)18-41-19-26)29(14-31(36)39)20-44(3)33(21-46)37(47)48/h4-8,13-16,18-19,33,46H,9-12,20-23H2,1-3H3,(H,47,48)/t33-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477030
PNG
(US10882844, Example 2008)
Show SMILES CN1CCN(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CNC(CO)CO)cc2Cl)c1C
Show InChI InChI=1S/C37H39ClN6O5/c1-24-28(4-3-5-31(24)27-6-7-34-33(14-27)42-37(49-34)44-10-8-43(2)9-11-44)23-48-36-15-35(47-22-26-12-25(16-39)17-40-18-26)29(13-32(36)38)19-41-30(20-45)21-46/h3-7,12-15,17-18,30,41,45-46H,8-11,19-23H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477024
PNG
(US10882844, Example 2001)
Show SMILES CN[C@H]1C[C@@H](C)N(C1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN(C)C(CO)CO)cc2Cl)c1C
Show InChI InChI=1S/C39H43ClN6O5/c1-24-10-31(42-3)19-46(24)39-44-35-13-28(8-9-36(35)51-39)33-7-5-6-29(25(33)2)23-50-38-14-37(49-22-27-11-26(15-41)16-43-17-27)30(12-34(38)40)18-45(4)32(20-47)21-48/h5-9,11-14,16-17,24,31-32,42,47-48H,10,18-23H2,1-4H3/t24-,31+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477034
PNG
(US10882844, Example 2012)
Show SMILES CCC[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3oc(nc3c2)N2CCN(C)CC2)cc1OCc1cncc(c1)C#N)C(O)=O
Show InChI InChI=1S/C39H41ClN6O5/c1-4-6-33(38(47)48)43-22-30-16-32(40)37(18-36(30)49-23-27-15-26(19-41)20-42-21-27)50-24-29-7-5-8-31(25(29)2)28-9-10-35-34(17-28)44-39(51-35)46-13-11-45(3)12-14-46/h5,7-10,15-18,20-21,33,43H,4,6,11-14,22-24H2,1-3H3,(H,47,48)/t33-/m0/s1
PDB

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n/an/a 7.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474555
PNG
(US10882844, Example 1015)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C12CC(N)(C1)C2
Show InChI InChI=1S/C40H38ClN5O5/c1-24-28(5-4-6-30(24)27-8-9-34-32(13-27)45-38(51-34)39-21-40(43,22-39)23-39)20-50-36-14-35(49-19-26-11-25(15-42)16-44-17-26)29(12-31(36)41)18-46-10-3-2-7-33(46)37(47)48/h4-6,8-9,11-14,16-17,33H,2-3,7,10,18-23,43H2,1H3,(H,47,48)/t33-,39?,40?/m0/s1
PDB

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n/an/a 7.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477025
PNG
(US10882844, Example 2002)
Show SMILES CN[C@H]1C[C@@H](C)N(C1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C41H43ClN6O5/c1-25-13-32(44-3)22-48(25)41-46-35-16-29(10-11-37(35)53-41)33-8-6-7-30(26(33)2)24-52-39-17-38(51-23-28-14-27(18-43)19-45-20-28)31(15-34(39)42)21-47-12-5-4-9-36(47)40(49)50/h6-8,10-11,14-17,19-20,25,32,36,44H,4-5,9,12-13,21-24H2,1-3H3,(H,49,50)/t25-,32+,36+/m1/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474560
PNG
(US10882844, Example 1019)
Show SMILES CN1CCC(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(C=O)cc2Cl)c1C
Show InChI InChI=1S/C35H31ClN4O4/c1-22-27(21-43-34-15-33(28(19-41)13-30(34)36)42-20-24-12-23(16-37)17-38-18-24)4-3-5-29(22)26-6-7-32-31(14-26)39-35(44-32)25-8-10-40(2)11-9-25/h3-7,12-15,17-19,25H,8-11,20-21H2,1-2H3
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477023
PNG
(US10882844, Example 1031)
Show SMILES CN1CCN(CC1)c1cnc2ccc(cc2n1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C
Show InChI InChI=1S/C41H42ClN7O4/c1-27-31(6-5-7-33(27)30-9-10-35-36(18-30)46-40(23-45-35)48-14-12-47(2)13-15-48)26-53-39-19-38(52-25-29-16-28(20-43)21-44-22-29)32(17-34(39)42)24-49-11-4-3-8-37(49)41(50)51/h5-7,9-10,16-19,21-23,37H,3-4,8,11-15,24-26H2,1-2H3,(H,50,51)/t37-/m0/s1
PDB

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n/an/a 7.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474562
PNG
(US10882844, Example 1021)
Show SMILES CN1CCC(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CO)cc2Cl)c1C
Show InChI InChI=1S/C35H33ClN4O4/c1-22-27(21-43-34-15-33(28(19-41)13-30(34)36)42-20-24-12-23(16-37)17-38-18-24)4-3-5-29(22)26-6-7-32-31(14-26)39-35(44-32)25-8-10-40(2)11-9-25/h3-7,12-15,17-18,25,41H,8-11,19-21H2,1-2H3
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474563
PNG
(US10882844, Example 1022)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C46H44ClN5O5/c1-30-35(8-7-11-38(30)34-13-14-42-40(22-34)50-45(57-42)33-15-18-51(19-16-33)37-9-3-2-4-10-37)29-56-44-23-43(55-28-32-20-31(24-48)25-49-26-32)36(21-39(44)47)27-52-17-6-5-12-41(52)46(53)54/h2-4,7-11,13-14,20-23,25-26,33,41H,5-6,12,15-19,27-29H2,1H3,(H,53,54)/t41-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477009
PNG
(US10882844, Example 1026)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C42H41ClN4O7/c1-25-31(5-4-6-33(25)30-12-13-37-35(17-30)46-40(54-37)28-8-10-29(11-9-28)41(48)49)24-53-39-18-38(52-23-27-15-26(19-44)20-45-21-27)32(16-34(39)43)22-47-14-3-2-7-36(47)42(50)51/h4-6,12-13,15-18,20-21,28-29,36H,2-3,7-11,14,22-24H2,1H3,(H,48,49)(H,50,51)/t28-,29-,36-/m0/s1
PDB

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n/an/a 5.01E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM477011
PNG
(US10882844, Example 1028)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2ncc(nc2c1)C1=CC2CCC(C1)N2C(=O)OC(C)(C)C
Show InChI InChI=1S/C48H49ClN6O6/c1-29-33(28-60-45-21-44(59-27-31-16-30(22-50)23-51-24-31)35(19-39(45)49)26-54-15-6-5-10-43(54)46(56)57)8-7-9-38(29)32-11-14-40-41(20-32)53-42(25-52-40)34-17-36-12-13-37(18-34)55(36)47(58)61-48(2,3)4/h7-9,11,14,16-17,19-21,23-25,36-37,43H,5-6,10,12-13,15,18,26-28H2,1-4H3,(H,56,57)/t36?,37?,43-/m0/s1
PDB

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n/an/a 5.01E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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


(Homo sapiens-Homo sapiens (Human))
BDBM474564
PNG
(US10882844, Example 1023)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccc3oc(nc3c2)C2CCN(CC2)c2ccccc2)c(Cl)cc1CN1CCCC[C@H]1C(O)=O
Show InChI InChI=1S/C40H42ClN3O5/c1-26-29(25-48-38-23-37(47-2)30(21-33(38)41)24-44-18-7-6-13-35(44)40(45)46)9-8-12-32(26)28-14-15-36-34(22-28)42-39(49-36)27-16-19-43(20-17-27)31-10-4-3-5-11-31/h3-5,8-12,14-15,21-23,27,35H,6-7,13,16-20,24-25H2,1-2H3,(H,45,46)/t35-/m0/s1
PDB

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n/an/a 5.01E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...


US Patent US10882844 (2021)

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