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Patent code US11046675

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PD-1/PD-L


(Homo sapiens (Human))
BDBM507127
PNG
(US11046675, Example 1006)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c3CN(CC(O)=O)CCc3c2Cl)cccc1-c1cccc(OCCCN2CC[C@@H](O)C2)c1C
Show InChI InChI=1S/C40H43ClN4O6/c1-26-30(6-3-7-32(26)33-8-4-9-36(27(33)2)49-15-5-12-44-13-10-31(46)21-44)25-51-38-17-37(50-24-29-16-28(18-42)19-43-20-29)35-22-45(23-39(47)48)14-11-34(35)40(38)41/h3-4,6-9,16-17,19-20,31,46H,5,10-15,21-25H2,1-2H3,(H,47,48)/t31-/m1/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 2n/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 US11046675 (2021)

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


(Homo sapiens (Human))
BDBM507051
PNG
(US11046675, Example 1001)
Show SMILES Cc1c(COc2cc3CCN(CC(O)=O)Cc3c(OCc3cncc(c3)C#N)c2)cccc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C34H31N3O6/c1-22-27(3-2-4-29(22)25-5-6-31-33(13-25)41-10-9-40-31)21-42-28-12-26-7-8-37(19-34(38)39)18-30(26)32(14-28)43-20-24-11-23(15-35)16-36-17-24/h2-6,11-14,16-17H,7-10,18-21H2,1H3,(H,38,39)
PDB

GoogleScholar
UniChem
US Patent
n/an/a 8.5n/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 US11046675 (2021)

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


(Homo sapiens (Human))
BDBM507128
PNG
(US11046675, Example 1007)
Show SMILES COC(=O)c1cncc(COc2cc(OCc3cccc(c3C)-c3cccc(OCCCN4CC[C@@H](O)C4)c3C)c(Cl)c3CCN(CC(O)=O)Cc23)c1
Show InChI InChI=1S/C41H46ClN3O8/c1-26-29(7-4-8-32(26)33-9-5-10-36(27(33)2)51-16-6-13-44-14-11-31(46)21-44)25-53-38-18-37(52-24-28-17-30(20-43-19-28)41(49)50-3)35-22-45(23-39(47)48)15-12-34(35)40(38)42/h4-5,7-10,17-20,31,46H,6,11-16,21-25H2,1-3H3,(H,47,48)/t31-/m1/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 33n/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 US11046675 (2021)

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


(Homo sapiens (Human))
BDBM507123
PNG
(US11046675, Example 1002)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)cc3CCN(CC(O)=O)Cc23)cccc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C34H31N3O6/c1-22-27(3-2-4-29(22)25-5-6-31-33(13-25)41-10-9-40-31)21-43-32-14-28(42-20-24-11-23(15-35)16-36-17-24)12-26-7-8-37(18-30(26)32)19-34(38)39/h2-6,11-14,16-17H,7-10,18-21H2,1H3,(H,38,39)
PDB

GoogleScholar
UniChem
US Patent
n/an/a 775n/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 US11046675 (2021)

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


(Homo sapiens (Human))
BDBM507124
PNG
(US11046675, Example 1003)
Show SMILES Cc1c(COc2cc(O)c3CN(CC(O)=O)CCc3c2)cccc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C27H27NO6/c1-17-20(3-2-4-22(17)18-5-6-25-26(12-18)33-10-9-32-25)16-34-21-11-19-7-8-28(15-27(30)31)14-23(19)24(29)13-21/h2-6,11-13,29H,7-10,14-16H2,1H3,(H,30,31)
PDB

GoogleScholar
UniChem
US Patent
n/an/a 775n/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 US11046675 (2021)

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


(Homo sapiens (Human))
BDBM507125
PNG
(US11046675, Example 1004)
Show SMILES Cc1c(COc2ccc3C[C@@H](NCc3c2)C(O)=O)cccc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H25NO5/c1-16-19(3-2-4-22(16)18-6-8-24-25(13-18)31-10-9-30-24)15-32-21-7-5-17-12-23(26(28)29)27-14-20(17)11-21/h2-8,11,13,23,27H,9-10,12,14-15H2,1H3,(H,28,29)/t23-/m1/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a 5.75E+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 US11046675 (2021)

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


(Homo sapiens (Human))
BDBM507126
PNG
(US11046675, Example 1005)
Show SMILES Cc1c(COc2ccc3C[C@H](NCc3c2)C(O)=O)cccc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H25NO5/c1-16-19(3-2-4-22(16)18-6-8-24-25(13-18)31-10-9-30-24)15-32-21-7-5-17-12-23(26(28)29)27-14-20(17)11-21/h2-8,11,13,23,27H,9-10,12,14-15H2,1H3,(H,28,29)/t23-/m0/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a>1.00E+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 US11046675 (2021)

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


(Homo sapiens (Human))
BDBM507129
PNG
(US11046675, Example 1008)
Show SMILES COC(=O)CN1CCc2c(Cl)c(OCc3cccc(c3C)-c3cccc(OCCCN4CC[C@@H](O)C4)c3C)cc(OCc3cncc(c3)C(=O)OC)c2C1
Show InChI InChI=1S/C42H48ClN3O8/c1-27-30(8-5-9-33(27)34-10-6-11-37(28(34)2)52-17-7-14-45-15-12-32(47)22-45)26-54-39-19-38(53-25-29-18-31(21-44-20-29)42(49)51-4)36-23-46(24-40(48)50-3)16-13-35(36)41(39)43/h5-6,8-11,18-21,32,47H,7,12-17,22-26H2,1-4H3/t32-/m1/s1
PDB

GoogleScholar
UniChem
US Patent
n/an/a>1.00E+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 US11046675 (2021)

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