BindingDB logo
myBDB logout

Patent code US10800768

Compile Data Set for Download or QSAR

Found 271 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 (Human))
BDBM395537
PNG
((S)-1-(4-((3′-(5-(((R)-3-carboxypyrrolidin-1...)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(Cl)c3o2)c1C
Show InChI InChI=1S/C48H45Cl2N5O7/c1-28-34(27-61-44-19-43(60-26-32-15-31(20-51)21-52-22-32)35(18-39(44)49)25-55-13-4-3-11-42(55)48(58)59)7-5-8-36(28)37-9-6-10-38(29(37)2)46-53-41-17-30(16-40(50)45(41)62-46)23-54-14-12-33(24-54)47(56)57/h5-10,15-19,21-22,33,42H,3-4,11-14,23-27H2,1-2H3,(H,56,57)(H,58,59)/t33-,42+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 750n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395538
PNG
((R)-1-((7-chloro-2-(3′-((2-chloro-5-((5-cyan...)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNCCO)cc2Cl)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(Cl)c3o2)c1C
Show InChI InChI=1S/C44H41Cl2N5O6/c1-26-32(25-56-41-17-40(33(16-37(41)45)21-48-10-12-52)55-24-30-13-29(18-47)19-49-20-30)5-3-6-34(26)35-7-4-8-36(27(35)2)43-50-39-15-28(14-38(46)42(39)57-43)22-51-11-9-31(23-51)44(53)54/h3-8,13-17,19-20,31,48,52H,9-12,21-25H2,1-2H3,(H,53,54)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 750n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395427
PNG
((S)-1-((7-cyano-2-(3′-(5-(3,3-difluorocyclob...)
Show SMILES Cc1c(NC(=O)c2nc3CN(CCc3n2C)C2CC(F)(F)C2)cccc1-c1cccc(-c2nc3cc(CN4CC[C@@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C40H39F2N7O4/c1-22-28(6-4-8-30(22)38-46-32-15-24(14-26(18-43)35(32)53-38)19-48-12-10-25(20-48)39(51)52)29-7-5-9-31(23(29)2)45-37(50)36-44-33-21-49(13-11-34(33)47(36)3)27-16-40(41,42)17-27/h4-9,14-15,25,27H,10-13,16-17,19-21H2,1-3H3,(H,45,50)(H,51,52)/t25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 750n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395647
PNG
((R)-1-((7-cyano- 2-(3'-(3-(((S)-1- hydroxypropan- ...)
Show SMILES C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CC[C@H](C6)C(O)=O)cc(C#N)c5o4)c3C)nccc2c1
Show InChI InChI=1S/C40H39N7O4/c1-23(22-48)43-18-27-15-28-10-12-42-38(36(28)44-19-27)45-34-9-5-7-32(25(34)3)31-6-4-8-33(24(31)2)39-46-35-16-26(14-30(17-41)37(35)51-39)20-47-13-11-29(21-47)40(49)50/h4-10,12,14-16,19,23,29,43,48H,11,13,18,20-22H2,1-3H3,(H,42,45)(H,49,50)/t23-,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395649
PNG
(1-((7-cyano-2- (3'-(1,5- dimethyl-4,5,6,7- tetrahy...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1C)-c1cccc(-c3nc4cc(CN5CCC(CC5)C(O)=O)cc(C#N)c4o3)c1C)n2C
Show InChI InChI=1S/C38H39N7O4/c1-22-27(28-8-6-10-30(23(28)2)41-36(46)35-40-32-21-43(3)14-13-33(32)44(35)4)7-5-9-29(22)37-42-31-18-24(17-26(19-39)34(31)49-37)20-45-15-11-25(12-16-45)38(47)48/h5-10,17-18,25H,11-16,20-21H2,1-4H3,(H,41,46)(H,47,48)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395661
PNG
(US10308644, Example 271 | US10800768, Example 271 ...)
Show SMILES Cc1c(cccc1-c1cccc(NC(=O)c2nc3CN(CC4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl)-c1nc2cc(CN3CCCC3)cc(C#N)c2o1
Show InChI InChI=1S/C42H44ClN7O4/c1-25-30(7-5-8-31(25)41-47-34-20-27(23-49-16-3-4-17-49)19-29(21-44)38(34)54-41)32-9-6-10-33(37(32)43)46-40(51)39-45-35-24-50(18-15-36(35)48(39)2)22-26-11-13-28(14-12-26)42(52)53/h5-10,19-20,26,28H,3-4,11-18,22-24H2,1-2H3,(H,46,51)(H,52,53)/t26?,28-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395393
PNG
(3-(((7-chloro-2-(3′-((3-(((2-hydroxyethyl)am...)
Show SMILES Cc1c(Nc2nccc3cc(CNCCO)cnc23)cccc1-c1cccc(-c2nc3cc(CNCCC(O)=O)cc(Cl)c3o2)c1C
Show InChI InChI=1S/C36H35ClN6O4/c1-21-26(5-3-7-28(21)36-43-31-17-23(16-29(37)34(31)47-36)18-38-11-10-32(45)46)27-6-4-8-30(22(27)2)42-35-33-25(9-12-40-35)15-24(20-41-33)19-39-13-14-44/h3-9,12,15-17,20,38-39,44H,10-11,13-14,18-19H2,1-2H3,(H,40,42)(H,45,46)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395400
PNG
((R)-1-((7-cyano-2-(2,2′-dimethyl-3′-(p...)
Show SMILES Cc1c(Nc2ncnc3cccnc23)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C35H29N7O3/c1-20-25(26-7-4-9-28(21(26)2)40-33-31-29(38-19-39-33)10-5-12-37-31)6-3-8-27(20)34-41-30-15-22(14-24(16-36)32(30)45-34)17-42-13-11-23(18-42)35(43)44/h3-10,12,14-15,19,23H,11,13,17-18H2,1-2H3,(H,43,44)(H,38,39,40)/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395416
PNG
((R)-1-((7-chloro-2-(2′-chloro-3′-(3-((...)
Show SMILES Cc1c(cccc1-c1cccc(Nc2nccc3cc(CN4CC[C@H](O)C4)cnc23)c1Cl)-c1nc2cc(CN3CC[C@H](C3)C(O)=O)cc(Cl)c2o1
Show InChI InChI=1S/C39H36Cl2N6O4/c1-22-28(4-2-5-29(22)38-45-33-16-23(15-31(40)36(33)51-38)18-46-12-9-26(20-46)39(49)50)30-6-3-7-32(34(30)41)44-37-35-25(8-11-42-37)14-24(17-43-35)19-47-13-10-27(48)21-47/h2-8,11,14-17,26-27,48H,9-10,12-13,18-21H2,1H3,(H,42,44)(H,49,50)/t26-,27+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395429
PNG
(3-(((7-chloro-2-(3′-(1,5-dimethyl-4,5,6,7-te...)
Show SMILES CN(CCC(O)=O)Cc1cc(Cl)c2oc(nc2c1)-c1cccc(c1C)-c1cccc(NC(=O)c2nc3CN(C)CCc3n2C)c1C
Show InChI InChI=1S/C35H37ClN6O4/c1-20-23(24-9-7-11-27(21(24)2)38-34(45)33-37-29-19-41(4)14-12-30(29)42(33)5)8-6-10-25(20)35-39-28-17-22(16-26(36)32(28)46-35)18-40(3)15-13-31(43)44/h6-11,16-17H,12-15,18-19H2,1-5H3,(H,38,45)(H,43,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395466
PNG
((R)-1-((7-chloro-2-(2,2′-dimethyl-3′-(...)
Show SMILES Cc1c(cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(Cl)c3o2)c1C)-c1nc2CCNCc2o1
Show InChI InChI=1S/C33H31ClN4O4/c1-18-22(5-3-7-24(18)31-36-27-9-11-35-15-29(27)41-31)23-6-4-8-25(19(23)2)32-37-28-14-20(13-26(34)30(28)42-32)16-38-12-10-21(17-38)33(39)40/h3-8,13-14,21,35H,9-12,15-17H2,1-2H3,(H,39,40)/t21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395476
PNG
((R)-1-((2-(2′-chloro-3′-(1,5-dimethyl-...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(-c3nc4cc(CN5CC[C@](C)(C5)C(O)=O)cc(C#N)c4o3)c1C)n2C
Show InChI InChI=1S/C37H36ClN7O4/c1-21-24(26-9-6-10-27(31(26)38)41-34(46)33-40-29-19-43(3)13-11-30(29)44(33)4)7-5-8-25(21)35-42-28-16-22(15-23(17-39)32(28)49-35)18-45-14-12-37(2,20-45)36(47)48/h5-10,15-16H,11-14,18-20H2,1-4H3,(H,41,46)(H,47,48)/t37-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395479
PNG
((1R,4R)-4-((2-(2′-chloro-3′-(1,5-dimet...)
Show SMILES CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(-c3nc4cc(CN[C@H]5CC[C@@H](CC5)C(O)=O)cc(C#N)c4o3)c1C)n2C
Show InChI InChI=1S/C38H38ClN7O4/c1-21-26(28-8-5-9-29(33(28)39)43-36(47)35-42-31-20-45(2)15-14-32(31)46(35)3)6-4-7-27(21)37-44-30-17-22(16-24(18-40)34(30)50-37)19-41-25-12-10-23(11-13-25)38(48)49/h4-9,16-17,23,25,41H,10-15,19-20H2,1-3H3,(H,43,47)(H,48,49)/t23-,25-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395482
PNG
((S)-1-((2-(2′-chloro-3′-(1,5-dimethyl-...)
Show SMILES CN1Cc2nc(C(=O)Nc3cccc(c3Cl)-c3cccc(-c4nc5cc(CN6CC[C@@H](C6)C(O)=O)cc(C#N)c5o4)c3C)n(C)c2C1
Show InChI InChI=1S/C35H32ClN7O4/c1-19-23(25-8-5-9-26(30(25)36)39-33(44)32-38-28-17-41(2)18-29(28)42(32)3)6-4-7-24(19)34-40-27-13-20(12-22(14-37)31(27)47-34)15-43-11-10-21(16-43)35(45)46/h4-9,12-13,21H,10-11,15-18H2,1-3H3,(H,39,44)(H,45,46)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395485
PNG
((3R)-1-((2-(2′-chloro-2-methyl-3′-(3-(...)
Show SMILES Cc1c(cccc1-c1cccc(Nc2nccc3cc(cnc23)C2CCCN2)c1Cl)-c1nc2cc(CN3CC[C@H](C3)C(O)=O)cc(C#N)c2o1
Show InChI InChI=1S/C39H34ClN7O3/c1-22-28(30-7-3-8-32(34(30)40)45-37-35-24(10-13-43-37)17-27(19-44-35)31-9-4-12-42-31)5-2-6-29(22)38-46-33-16-23(15-26(18-41)36(33)50-38)20-47-14-11-25(21-47)39(48)49/h2-3,5-8,10,13,15-17,19,25,31,42H,4,9,11-12,14,20-21H2,1H3,(H,43,45)(H,48,49)/t25-,31?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395511
PNG
(1-((7-cyano-2-(3′-(5-(dimethylglycyl)-5,6-di...)
Show SMILES CN(C)CC(=O)N1Cc2nc(oc2C1)-c1cccc(c1C)-c1cccc(-c2nc3cc(CN4CC(C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C36H34N6O5/c1-20-25(7-5-9-27(20)34-39-30-17-42(18-31(30)46-34)32(43)19-40(3)4)26-8-6-10-28(21(26)2)35-38-29-12-22(11-23(13-37)33(29)47-35)14-41-15-24(16-41)36(44)45/h5-12,24H,14-19H2,1-4H3,(H,44,45)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395520
PNG
((R)-1-(2-(2-(3′-(7-cyano-5-(((R)-3-hydroxypy...)
Show SMILES Cc1c(cccc1-c1cccc(-c2nc3cc(CN4CC[C@@H](O)C4)cc(C#N)c3o2)c1C)-c1nc2CN(Cc2o1)C(=O)CN1CC[C@H](C1)C(O)=O
Show InChI InChI=1S/C39H38N6O6/c1-22-28(5-3-7-30(22)37-42-33-19-45(20-34(33)50-37)35(47)21-44-11-9-25(17-44)39(48)49)29-6-4-8-31(23(29)2)38-41-32-14-24(13-26(15-40)36(32)51-38)16-43-12-10-27(46)18-43/h3-8,13-14,25,27,46H,9-12,16-21H2,1-2H3,(H,48,49)/t25-,27-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395534
PNG
((R)-1-((7-cyano-2-(3′-((3-((((S)-2-hydroxypr...)
Show SMILES C[C@H](O)CNCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CC[C@H](C6)C(O)=O)cc(C#N)c5o4)c3C)nccc2c1
Show InChI InChI=1S/C40H39N7O4/c1-23(48)18-42-19-27-15-28-10-12-43-38(36(28)44-20-27)45-34-9-5-7-32(25(34)3)31-6-4-8-33(24(31)2)39-46-35-16-26(14-30(17-41)37(35)51-39)21-47-13-11-29(22-47)40(49)50/h4-10,12,14-16,20,23,29,42,48H,11,13,18-19,21-22H2,1-3H3,(H,43,45)(H,49,50)/t23-,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395542
PNG
(1-((2-(2′-chloro-2-methyl-3′-(1-methyl...)
Show SMILES Cc1c(cccc1-c1cccc(NC(=O)c2nc3CNCCc3n2C)c1Cl)-c1nc2cc(CN3CCC(CC3)C(O)=O)cc(C#N)c2o1
Show InChI InChI=1S/C36H34ClN7O4/c1-20-24(26-7-4-8-27(31(26)37)41-34(45)33-40-29-18-39-12-9-30(29)43(33)2)5-3-6-25(20)35-42-28-16-21(15-23(17-38)32(28)48-35)19-44-13-10-22(11-14-44)36(46)47/h3-8,15-16,22,39H,9-14,18-19H2,1-2H3,(H,41,45)(H,46,47)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395568
PNG
(US10308644, Example 180 | US10308644, Example 181 ...)
Show SMILES Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN[C@H]4CC(C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C41H39N7O4/c1-23-32(5-3-7-34(23)40-47-36-15-25(13-29(18-42)38(36)52-40)19-44-30-16-28(17-30)41(50)51)33-6-4-8-35(24(33)2)46-39-37-27(9-11-43-39)14-26(20-45-37)21-48-12-10-31(49)22-48/h3-9,11,13-15,20,28,30-31,44,49H,10,12,16-17,19,21-22H2,1-2H3,(H,43,46)(H,50,51)/t28?,30-,31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395572
PNG
(2-(trans-4-((7- cyano-2-(3'-(3- (((R)-3-hydroxy- p...)
Show SMILES Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CNC4CC[C@H](CC(O)=O)CC4)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C44H45N7O4/c1-26-35(36-6-4-8-38(27(36)2)49-43-41-31(13-15-46-43)18-30(23-48-41)24-51-16-14-34(52)25-51)5-3-7-37(26)44-50-39-19-29(17-32(21-45)42(39)55-44)22-47-33-11-9-28(10-12-33)20-40(53)54/h3-8,13,15,17-19,23,28,33-34,47,52H,9-12,14,16,20,22,24-25H2,1-2H3,(H,46,49)(H,53,54)/t28-,33?,34-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395576
PNG
((R)-1-((2-(2'-chloro- 3'-(3-((3-hydroxy pyrrolidin...)
Show SMILES Cc1c(cccc1-c1cccc(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)c1Cl)-c1nc2cc(CN3CCC(CC3)C(O)=O)cc(C#N)c2o1
Show InChI InChI=1S/C41H38ClN7O4/c1-24-31(4-2-5-32(24)40-47-35-18-25(16-29(19-43)38(35)53-40)21-48-13-9-27(10-14-48)41(51)52)33-6-3-7-34(36(33)42)46-39-37-28(8-12-44-39)17-26(20-45-37)22-49-15-11-30(50)23-49/h2-8,12,16-18,20,27,30,50H,9-11,13-15,21-23H2,1H3,(H,44,46)(H,51,52)/t30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395602
PNG
((S)-1-((8-(3'-(7- cyano-5-((1- hydroxypropan- 2-yl...)
Show SMILES C[C@@H](CO)NCc1cc(C#N)c2oc(nc2c1)-c1cccc(c1C)-c1cccc(Nc2nccc3cc(CN4CCCCC4)cnc23)c1C
Show InChI InChI=1S/C40H41N7O2/c1-25(24-48)43-21-28-17-31(20-41)38-36(19-28)46-40(49-38)34-11-7-9-32(26(34)2)33-10-8-12-35(27(33)3)45-39-37-30(13-14-42-39)18-29(22-44-37)23-47-15-5-4-6-16-47/h7-14,17-19,22,25,43,48H,4-6,15-16,21,23-24H2,1-3H3,(H,42,45)/t25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395603
PNG
((R)-1-((8-(3'-(7- cyano-5-((3- hydroxypyrrolidin- ...)
Show SMILES Cc1c(Nc2nccc3cc(CN4CCCCC4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CC[C@@H](O)C4)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C41H41N7O2/c1-26-33(8-6-10-35(26)41-46-37-20-28(18-31(21-42)39(37)50-41)23-48-17-13-32(49)25-48)34-9-7-11-36(27(34)2)45-40-38-30(12-14-43-40)19-29(22-44-38)24-47-15-4-3-5-16-47/h6-12,14,18-20,22,32,49H,3-5,13,15-17,23-25H2,1-2H3,(H,43,45)/t32-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395624
PNG
(2-((7-cyano-2-(3'- (5-(2-((R)-3- hydroxypyrrolidin...)
Show SMILES Cc1c(cccc1-c1cccc(-c2nc3CN(Cc3s2)C(=O)CN2CC[C@@H](O)C2)c1C)-c1nc2cc(CN3CC4(CC(C4)C(O)=O)C3)cc(C#N)c2o1
Show InChI InChI=1S/C41H40N6O5S/c1-23-29(30-6-4-8-32(24(30)2)39-44-34-18-47(19-35(34)53-39)36(49)20-45-10-9-28(48)17-45)5-3-7-31(23)38-43-33-12-25(11-26(15-42)37(33)52-38)16-46-21-41(22-46)13-27(14-41)40(50)51/h3-8,11-12,27-28,48H,9-10,13-14,16-22H2,1-2H3,(H,50,51)/t28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395626
PNG
(1-((7-cyano-2-(3'- (5-(2-(dimethyl- amino)acetyl)-...)
Show SMILES CN(C)CC(=O)N1Cc2nc(sc2C1)-c1cccc(c1C)-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C38H38N6O4S/c1-22-27(28-8-6-10-30(23(28)2)37-41-32-19-44(20-33(32)49-37)34(45)21-42(3)4)7-5-9-29(22)36-40-31-16-24(15-26(17-39)35(31)48-36)18-43-13-11-25(12-14-43)38(46)47/h5-10,15-16,25H,11-14,18-21H2,1-4H3,(H,46,47)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395635
PNG
((R)-1-((7-cyano- 2-(3'-(5-(dimethyl- glycyl)-5,6- ...)
Show SMILES CN(C)CC(=O)N1Cc2nc(oc2C1)-c1cccc(c1C)-c1cccc(-c2nc3cc(CN4CC[C@](C)(C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C38H38N6O5/c1-22-26(8-6-10-28(22)35-41-31-18-44(19-32(31)48-35)33(45)20-42(4)5)27-9-7-11-29(23(27)2)36-40-30-15-24(14-25(16-39)34(30)49-36)17-43-13-12-38(3,21-43)37(46)47/h6-11,14-15H,12-13,17-21H2,1-5H3,(H,46,47)/t38-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM467149
PNG
((R)-1-((7-cyano-2-(3'-(5-(N-(2- hydroxyethyl)-N-me...)
Show SMILES CN(CCO)CC(=O)N1Cc2nc(oc2C1)-c1cccc(c1C)-c1cccc(-c2nc3cc(CN4CC[C@](C)(C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C39H40N6O6/c1-23-27(7-5-9-29(23)36-42-32-19-45(20-33(32)50-36)34(47)21-43(4)13-14-46)28-8-6-10-30(24(28)2)37-41-31-16-25(15-26(17-40)35(31)51-37)18-44-12-11-39(3,22-44)38(48)49/h5-10,15-16,46H,11-14,18-22H2,1-4H3,(H,48,49)/t39-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395651
PNG
(US10308644, Example 261 | US10800768, Example 261 ...)
Show SMILES Cc1c(cccc1-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl)-c1nc2cc(CN3CC[C@@H](O)C3)cc(C#N)c2o1
Show InChI InChI=1S/C42H44ClN7O5/c1-24-30(5-3-6-31(24)41-47-34-18-26(17-28(19-44)38(34)55-41)21-49-15-13-29(51)22-49)32-7-4-8-33(37(32)43)46-40(52)39-45-35-23-50(16-14-36(35)48(39)2)20-25-9-11-27(12-10-25)42(53)54/h3-8,17-18,25,27,29,51H,9-16,20-23H2,1-2H3,(H,46,52)(H,53,54)/t25-,27-,29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395656
PNG
(US10308644, Example 266 | US10800768, Example 266 ...)
Show SMILES Cc1c(cccc1-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@H](CC4)C(O)=O)CCc3n2C)c1Cl)-c1nc2cc(CN3CC[C@@H](O)C3)cc(C#N)c2o1
Show InChI InChI=1S/C42H44ClN7O5/c1-24-30(5-3-6-31(24)41-47-34-18-26(17-28(19-44)38(34)55-41)21-49-15-13-29(51)22-49)32-7-4-8-33(37(32)43)46-40(52)39-45-35-23-50(16-14-36(35)48(39)2)20-25-9-11-27(12-10-25)42(53)54/h3-8,17-18,25,27,29,51H,9-16,20-23H2,1-2H3,(H,46,52)(H,53,54)/t25-,27+,29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395406
PNG
((S)-1-((7-chloro-2-(3′-(3-(((R)-3-hydroxypyr...)
Show SMILES Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CC[C@@H](C4)C(O)=O)cc(Cl)c3o2)c1C
Show InChI InChI=1S/C40H39ClN6O4/c1-23-30(5-3-7-32(23)39-45-35-17-25(16-33(41)37(35)51-39)19-46-13-10-28(21-46)40(49)50)31-6-4-8-34(24(31)2)44-38-36-27(9-12-42-38)15-26(18-43-36)20-47-14-11-29(48)22-47/h3-9,12,15-18,28-29,48H,10-11,13-14,19-22H2,1-2H3,(H,42,44)(H,49,50)/t28-,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395411
PNG
((R)-1-((7-cyano-2-(3′-(3-(((R)-3-hydroxypyrr...)
Show SMILES Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C41H39N7O4/c1-24-32(5-3-7-34(24)40-46-36-17-26(15-30(18-42)38(36)52-40)20-47-13-10-29(22-47)41(50)51)33-6-4-8-35(25(33)2)45-39-37-28(9-12-43-39)16-27(19-44-37)21-48-14-11-31(49)23-48/h3-9,12,15-17,19,29,31,49H,10-11,13-14,20-23H2,1-2H3,(H,43,45)(H,50,51)/t29-,31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395430
PNG
((R)-1-((7-chloro-2-(2′-chloro-2-methyl-3R...)
Show SMILES CNC1CCN(CC1)c1cccc(c1Cl)-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(Cl)c3o2)c1C
Show InChI InChI=1S/C32H34Cl2N4O3/c1-19-23(25-7-4-8-28(29(25)34)38-13-10-22(35-2)11-14-38)5-3-6-24(19)31-36-27-16-20(15-26(33)30(27)41-31)17-37-12-9-21(18-37)32(39)40/h3-8,15-16,21-22,35H,9-14,17-18H2,1-2H3,(H,39,40)/t21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395431
PNG
((R)-1-((7-chloro-2-(2′-chloro-3′-(4-(c...)
Show SMILES Cc1c(cccc1-c1cccc(N2CCC(CC2)NC2CC2)c1Cl)-c1nc2cc(CN3CC[C@H](C3)C(O)=O)cc(Cl)c2o1
Show InChI InChI=1S/C34H36Cl2N4O3/c1-20-25(27-6-3-7-30(31(27)36)40-14-11-24(12-15-40)37-23-8-9-23)4-2-5-26(20)33-38-29-17-21(16-28(35)32(29)43-33)18-39-13-10-22(19-39)34(41)42/h2-7,16-17,22-24,37H,8-15,18-19H2,1H3,(H,41,42)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395444
PNG
((R)-1-((2-(2′-chloro-2-methyl-3′-(6-me...)
Show SMILES CN1CCc2cn(nc2C1)-c1cccc(c1Cl)-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C34H31ClN6O3/c1-20-25(27-7-4-8-30(31(27)35)41-18-22-9-11-39(2)19-29(22)38-41)5-3-6-26(20)33-37-28-14-21(13-24(15-36)32(28)44-33)16-40-12-10-23(17-40)34(42)43/h3-8,13-14,18,23H,9-12,16-17,19H2,1-2H3,(H,42,43)/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395448
PNG
((R)-1-((7-chloro-2-(3′-(5-ethyl-4,5,6,7-tetr...)
Show SMILES CCN1CCc2nc(sc2C1)-c1cccc(c1C)-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(Cl)c3o2)c1C
Show InChI InChI=1S/C35H35ClN4O3S/c1-4-39-14-12-29-31(19-39)44-34(38-29)27-10-6-8-25(21(27)3)24-7-5-9-26(20(24)2)33-37-30-16-22(15-28(36)32(30)43-33)17-40-13-11-23(18-40)35(41)42/h5-10,15-16,23H,4,11-14,17-19H2,1-3H3,(H,41,42)/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395450
PNG
((3R)-1-((7-chloro-2-(3′-(5-(1-hydroxypropan-...)
Show SMILES CC(CO)N1CCc2nc(sc2C1)-c1cccc(c1C)-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(Cl)c3o2)c1C
Show InChI InChI=1S/C36H37ClN4O4S/c1-20(19-42)41-13-11-30-32(18-41)46-35(39-30)28-9-5-7-26(22(28)3)25-6-4-8-27(21(25)2)34-38-31-15-23(14-29(37)33(31)45-34)16-40-12-10-24(17-40)36(43)44/h4-9,14-15,20,24,42H,10-13,16-19H2,1-3H3,(H,43,44)/t20?,24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395455
PNG
((S)-1-((7-cyano-2-(3′-(5-(2-hydroxyethyl)-4,...)
Show SMILES Cc1c(cccc1-c1cccc(-c2nc3CCN(CCO)Cc3s2)c1C)-c1nc2cc(CN3CC[C@@H](C3)C(O)=O)cc(C#N)c2o1
Show InChI InChI=1S/C36H35N5O4S/c1-21-26(27-6-4-8-29(22(27)2)35-39-30-10-12-40(13-14-42)20-32(30)46-35)5-3-7-28(21)34-38-31-16-23(15-25(17-37)33(31)45-34)18-41-11-9-24(19-41)36(43)44/h3-8,15-16,24,42H,9-14,18-20H2,1-2H3,(H,43,44)/t24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395456
PNG
(1-((7-cyano-2-(3′-(5-(2-hydroxyethyl)-4,5,6,...)
Show SMILES Cc1c(cccc1-c1cccc(-c2nc3CCN(CCO)Cc3s2)c1C)-c1nc2cc(CN3CC(C3)C(O)=O)cc(C#N)c2o1
Show InChI InChI=1S/C35H33N5O4S/c1-20-25(26-6-4-8-28(21(26)2)34-38-29-9-10-39(11-12-41)19-31(29)45-34)5-3-7-27(20)33-37-30-14-22(13-23(15-36)32(30)44-33)16-40-17-24(18-40)35(42)43/h3-8,13-14,24,41H,9-12,16-19H2,1-2H3,(H,42,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395459
PNG
((R)-1-((7-chloro-2-(2,2′-dimethyl-3′-(...)
Show SMILES CN1CCc2nc(sc2C1)-c1cccc(c1C)-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(Cl)c3o2)c1C
Show InChI InChI=1S/C34H33ClN4O3S/c1-19-23(24-7-5-9-26(20(24)2)33-37-28-11-12-38(3)18-30(28)43-33)6-4-8-25(19)32-36-29-15-21(14-27(35)31(29)42-32)16-39-13-10-22(17-39)34(40)41/h4-9,14-15,22H,10-13,16-18H2,1-3H3,(H,40,41)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395480
PNG
((S)-1-((2-(2′-chloro-2-methyl-3′-(1-me...)
Show SMILES Cc1c(cccc1-c1cccc(NC(=O)c2nc3CNCCc3n2C)c1Cl)-c1nc2cc(CN3CC[C@@H](C3)C(O)=O)cc(C#N)c2o1
Show InChI InChI=1S/C35H32ClN7O4/c1-19-23(25-7-4-8-26(30(25)36)40-33(44)32-39-28-16-38-11-9-29(28)42(32)2)5-3-6-24(19)34-41-27-14-20(13-22(15-37)31(27)47-34)17-43-12-10-21(18-43)35(45)46/h3-8,13-14,21,38H,9-12,16-18H2,1-2H3,(H,40,44)(H,45,46)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395486
PNG
((3R)-1-((7-cyano-2-(2,2′-dimethyl-3′-(...)
Show SMILES Cc1c(Nc2nccc3cc(cnc23)C2CCCN2)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C40H37N7O3/c1-23-30(31-7-4-9-33(24(31)2)45-38-36-26(11-14-43-38)18-29(20-44-36)34-10-5-13-42-34)6-3-8-32(23)39-46-35-17-25(16-28(19-41)37(35)50-39)21-47-15-12-27(22-47)40(48)49/h3-4,6-9,11,14,16-18,20,27,34,42H,5,10,12-13,15,21-22H2,1-2H3,(H,43,45)(H,48,49)/t27-,34?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395488
PNG
((R)-1-((7-cyano-2-(3′-(3-(((R)-3-hydroxypyrr...)
Show SMILES Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CC[C@](C)(C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C42H41N7O4/c1-25-32(6-4-8-34(25)40-47-36-18-27(16-30(19-43)38(36)53-40)21-49-15-12-42(3,24-49)41(51)52)33-7-5-9-35(26(33)2)46-39-37-29(10-13-44-39)17-28(20-45-37)22-48-14-11-31(50)23-48/h4-10,13,16-18,20,31,50H,11-12,14-15,21-24H2,1-3H3,(H,44,46)(H,51,52)/t31-,42-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395497
PNG
((R)-1-((7-cyano-2-(3′-(5-(2-(dimethylamino)a...)
Show SMILES CN(C)CC(=O)N1Cc2nc(sc2C1)-c1cccc(c1C)-c1cccc(-c2nc3cc(CN4CC[C@](C)(C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C38H38N6O4S/c1-22-26(27-9-7-11-29(23(27)2)36-41-31-18-44(19-32(31)49-36)33(45)20-42(4)5)8-6-10-28(22)35-40-30-15-24(14-25(16-39)34(30)48-35)17-43-13-12-38(3,21-43)37(46)47/h6-11,14-15H,12-13,17-21H2,1-5H3,(H,46,47)/t38-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395498
PNG
((R)-1-((7-cyano-2-(3′-(5-(2-(isopropylamino)...)
Show SMILES CC(C)NCC(=O)N1Cc2nc(sc2C1)-c1cccc(c1C)-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C38H38N6O4S/c1-21(2)40-16-34(45)44-19-32-33(20-44)49-37(42-32)30-10-6-8-28(23(30)4)27-7-5-9-29(22(27)3)36-41-31-14-24(13-26(15-39)35(31)48-36)17-43-12-11-25(18-43)38(46)47/h5-10,13-14,21,25,40H,11-12,16-20H2,1-4H3,(H,46,47)/t25-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395506
PNG
(N-(2-(((7-cyano-2-(3′-(5-isopropyl-4,5,6,7-t...)
Show SMILES CC(C)N1CCc2nc(sc2C1)-c1cccc(c1C)-c1cccc(-c2nc3cc(CNCCNC(C)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C36H38N6O2S/c1-21(2)42-15-12-31-33(20-42)45-36(41-31)30-11-7-9-28(23(30)4)27-8-6-10-29(22(27)3)35-40-32-17-25(16-26(18-37)34(32)44-35)19-38-13-14-39-24(5)43/h6-11,16-17,21,38H,12-15,19-20H2,1-5H3,(H,39,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395519
PNG
((S)-1-(2-(2-(3′-(7-cyano-5-(((R)-3-hydroxypy...)
Show SMILES Cc1c(cccc1-c1cccc(-c2nc3cc(CN4CC[C@@H](O)C4)cc(C#N)c3o2)c1C)-c1nc2CN(Cc2o1)C(=O)CN1CC[C@@H](C1)C(O)=O
Show InChI InChI=1S/C39H38N6O6/c1-22-28(5-3-7-30(22)37-42-33-19-45(20-34(33)50-37)35(47)21-44-11-9-25(17-44)39(48)49)29-6-4-8-31(23(29)2)38-41-32-14-24(13-26(15-40)36(32)51-38)16-43-12-10-27(46)18-43/h3-8,13-14,25,27,46H,9-12,16-21H2,1-2H3,(H,48,49)/t25-,27+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395523
PNG
((R)-1-((2-(3′-(3-(azetidin-1-ylmethyl)-1,7-n...)
Show SMILES Cc1c(Nc2nccc3cc(CN4CCC4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C40H37N7O3/c1-24-31(32-7-4-9-34(25(32)2)44-38-36-28(10-12-42-38)17-27(20-43-36)22-46-13-5-14-46)6-3-8-33(24)39-45-35-18-26(16-30(19-41)37(35)50-39)21-47-15-11-29(23-47)40(48)49/h3-4,6-10,12,16-18,20,29H,5,11,13-15,21-23H2,1-2H3,(H,42,44)(H,48,49)/t29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395525
PNG
((R)-1-((7-cyano-2-(3′-(3-(((R)-3-hydroxy-3-m...)
Show SMILES Cc1c(Nc2nccc3cc(CN4CC[C@@](C)(O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C42H41N7O4/c1-25-32(6-4-8-34(25)40-47-36-18-27(16-31(19-43)38(36)53-40)21-48-14-11-30(23-48)41(50)51)33-7-5-9-35(26(33)2)46-39-37-29(10-13-44-39)17-28(20-45-37)22-49-15-12-42(3,52)24-49/h4-10,13,16-18,20,30,52H,11-12,14-15,21-24H2,1-3H3,(H,44,46)(H,50,51)/t30-,42-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

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


(Homo sapiens (Human))
BDBM395526
PNG
((R)-1-((7-cyano-2-(3′-(3-(((S)-3-hydroxy-3-m...)
Show SMILES Cc1c(Nc2nccc3cc(CN4CC[C@](C)(O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C
Show InChI InChI=1S/C42H41N7O4/c1-25-32(6-4-8-34(25)40-47-36-18-27(16-31(19-43)38(36)53-40)21-48-14-11-30(23-48)41(50)51)33-7-5-9-35(26(33)2)46-39-37-29(10-13-44-39)17-28(20-45-37)22-49-15-12-42(3,52)24-49/h4-10,13,16-18,20,30,52H,11-12,14-15,21-24H2,1-3H3,(H,44,46)(H,50,51)/t30-,42+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
TBD


US Patent US10800768 (2020)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 271 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%