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Compile Data Set for Download or QSAR

Found 40 hits of ec50 data for polymerid = 10163   
Target
(Institution)
LigandTarget
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
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235813
PNG
(US9359399, 27)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)NC(=O)NC2=O
Show InChI InChI=1/C37H52N8O6/c1-24(2)21-29(32(47)40-28(15-9-10-18-38)34(49)45-19-16-37(17-20-45)35(50)43-36(51)44-37)42-33(48)30(23-26-13-7-4-8-14-26)41-31(46)27(39)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,38-39H2,1-2H3,(H,40,47)(H,41,46)(H,42,48)(H2,43,44,50,51)/t27-,28-,29-,30-/s2
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US Patent
n/an/an/an/a 0.00560n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235795
PNG
(US9359399, 7)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCCNCC1
Show InChI InChI=1/C35H53N9O4/c1-24(2)21-29(32(46)41-28(15-9-17-40-35(37)38)34(48)44-19-10-16-39-18-20-44)43-33(47)30(23-26-13-7-4-8-14-26)42-31(45)27(36)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30,39H,9-10,15-23,36H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)(H4,37,38,40)/t27-,28-,29-,30-/s2
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n/an/an/an/a 0.0120n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235812
PNG
(US9359399, 26)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CCN(C)C2=O)CC1
Show InChI InChI=1/C39H57N7O5/c1-27(2)24-32(35(48)42-31(16-10-11-20-40)37(50)46-22-18-39(19-23-46)17-21-45(3)38(39)51)44-36(49)33(26-29-14-8-5-9-15-29)43-34(47)30(41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,40-41H2,1-3H3,(H,42,48)(H,43,47)(H,44,49)/t30-,31-,32-,33-/s2
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n/an/an/an/a 0.0194n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235803
PNG
(US9359399, 16)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1/C37H57N11O4/c1-25(2)22-30(33(50)44-29(16-9-10-17-43-36(39)40)35(52)47-18-11-19-48(21-20-47)37(41)42)46-34(51)31(24-27-14-7-4-8-15-27)45-32(49)28(38)23-26-12-5-3-6-13-26/h3-8,12-15,25,28-31H,9-11,16-24,38H2,1-2H3,(H3,41,42)(H,44,50)(H,45,49)(H,46,51)(H4,39,40,43)/t28-,29-,30-,31-/s2
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n/an/an/an/a 0.0210n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235815
PNG
(US9359399, 31)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c(C)nnc1C
Show InChI InChI=1/C39H57N9O4/c1-26(2)23-34(44-38(51)35(25-30-15-9-6-10-16-30)43-36(49)32(41)24-29-13-7-5-8-14-29)37(50)42-33(17-11-12-20-40)39(52)47-21-18-31(19-22-47)48-27(3)45-46-28(48)4/h5-10,13-16,26,31-35H,11-12,17-25,40-41H2,1-4H3,(H,42,50)(H,43,49)(H,44,51)/t32-,33-,34-,35-/s2
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n/an/an/an/a 0.0216n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235792
PNG
(US9359399, 36)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1/C42H56N8O5/c1-28(2)25-35(47-40(53)36(27-30-15-7-4-8-16-30)46-38(51)32(44)26-29-13-5-3-6-14-29)39(52)45-34(18-11-12-22-43)41(54)49-23-20-31(21-24-49)50-37-19-10-9-17-33(37)48-42(50)55/h3-10,13-17,19,28,31-32,34-36H,11-12,18,20-27,43-44H2,1-2H3,(H,45,52)(H,46,51)(H,47,53)(H,48,55)/t32-,34-,35-,36-/s2
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n/an/an/an/a 0.0234n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235802
PNG
(US9359399, 15)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1/C36H55N9O4/c1-25(2)22-30(33(47)41-29(16-9-10-17-37)35(49)44-18-11-19-45(21-20-44)36(39)40)43-34(48)31(24-27-14-7-4-8-15-27)42-32(46)28(38)23-26-12-5-3-6-13-26/h3-8,12-15,25,28-31H,9-11,16-24,37-38H2,1-2H3,(H3,39,40)(H,41,47)(H,42,46)(H,43,48)/t28-,29-,30-,31-/s2
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n/an/an/an/a 0.0280n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235811
PNG
(US9359399, 25)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CCNC2=O)CC1
Show InChI InChI=1/C38H55N7O5/c1-26(2)23-31(34(47)42-30(15-9-10-19-39)36(49)45-21-17-38(18-22-45)16-20-41-37(38)50)44-35(48)32(25-28-13-7-4-8-14-28)43-33(46)29(40)24-27-11-5-3-6-12-27/h3-8,11-14,26,29-32H,9-10,15-25,39-40H2,1-2H3,(H,41,50)(H,42,47)(H,43,46)(H,44,48)/t29-,30-,31-,32-/s2
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n/an/an/an/a 0.0314n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235786
PNG
(US9359399, 13)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(N)=N)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C39H57N9O6/c1-25(2)22-31(46-36(51)32(24-27-12-7-4-8-13-27)45-34(49)29(40)23-26-10-5-3-6-11-26)35(50)44-30(15-18-43-39(41)42)37(52)47-20-16-28(17-21-47)48-19-9-14-33(48)38(53)54/h3-8,10-13,25,28-33H,9,14-24,40H2,1-2H3,(H,44,50)(H,45,49)(H,46,51)(H,53,54)(H4,41,42,43)/t29-,30-,31-,32-,33+/s2
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n/an/an/an/a 0.0320n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235784
PNG
(US9359399, 5)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C41H61N9O6/c1-27(2)24-33(48-38(53)34(26-29-14-7-4-8-15-29)47-36(51)31(42)25-28-12-5-3-6-13-28)37(52)46-32(16-9-10-20-45-41(43)44)39(54)49-22-18-30(19-23-49)50-21-11-17-35(50)40(55)56/h3-8,12-15,27,30-35H,9-11,16-26,42H2,1-2H3,(H,46,52)(H,47,51)(H,48,53)(H,55,56)(H4,43,44,45)/t31-,32-,33-,34-,35+/s2
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n/an/an/an/a 0.0340n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235818
PNG
(US9359399, 35)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cnc(C)cn1
Show InChI InChI=1/C36H50N8O4/c1-24(2)18-31(35(47)42-30(16-10-11-17-37)34(46)41-23-28-22-39-25(3)21-40-28)44-36(48)32(20-27-14-8-5-9-15-27)43-33(45)29(38)19-26-12-6-4-7-13-26/h4-9,12-15,21-22,24,29-32H,10-11,16-20,23,37-38H2,1-3H3,(H,41,46)(H,42,47)(H,43,45)(H,44,48)/t29-,30-,31-,32-/s2
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US Patent
n/an/an/an/a 0.0359n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235794
PNG
(US9359399, 6)
Show SMILES CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C41H61N7O6/c1-28(2)25-34(46-39(51)35(27-30-15-8-5-9-16-30)45-37(49)32(42)26-29-13-6-4-7-14-29)38(50)44-33(17-10-11-21-43-3)40(52)47-23-19-31(20-24-47)48-22-12-18-36(48)41(53)54/h4-9,13-16,28,31-36,43H,10-12,17-27,42H2,1-3H3,(H,44,50)(H,45,49)(H,46,51)(H,53,54)/t32-,33-,34-,35-,36+/s2
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n/an/an/an/a 0.0360n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235810
PNG
(US9359399, 24)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1/C36H55N11O4/c1-24(2)21-29(32(49)43-28(15-9-16-42-35(38)39)34(51)46-17-10-18-47(20-19-46)36(40)41)45-33(50)30(23-26-13-7-4-8-14-26)44-31(48)27(37)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37H2,1-2H3,(H3,40,41)(H,43,49)(H,44,48)(H,45,50)(H4,38,39,42)/t27-,28-,29-,30-/s2
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n/an/an/an/a 0.0360n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235804
PNG
(US9359399, 17)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(C)C)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1/C39H61N9O4/c1-27(2)24-33(36(50)44-32(18-11-12-19-43-28(3)4)38(52)47-20-13-21-48(23-22-47)39(41)42)46-37(51)34(26-30-16-9-6-10-17-30)45-35(49)31(40)25-29-14-7-5-8-15-29/h5-10,14-17,27-28,31-34,43H,11-13,18-26,40H2,1-4H3,(H3,41,42)(H,44,50)(H,45,49)(H,46,51)/t31-,32-,33-,34-/s2
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n/an/an/an/a 0.0390n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235796
PNG
(US9359399, 8)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O
Show InChI InChI=1/C37H55N9O6/c1-24(2)21-29(32(48)43-28(15-9-10-18-42-36(39)40)34(50)46-19-16-37(41,17-20-46)35(51)52)45-33(49)30(23-26-13-7-4-8-14-26)44-31(47)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,38,41H2,1-2H3,(H,43,48)(H,44,47)(H,45,49)(H,51,52)(H4,39,40,42)/t27-,28-,29-,30-/s2
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n/an/an/an/a 0.0430n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235787
PNG
(US9359399, 1)
Show SMILES CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1/C37H57N9O4/c1-26(2)23-31(34(48)42-30(17-10-11-18-41-3)36(50)45-19-12-20-46(22-21-45)37(39)40)44-35(49)32(25-28-15-8-5-9-16-28)43-33(47)29(38)24-27-13-6-4-7-14-27/h4-9,13-16,26,29-32,41H,10-12,17-25,38H2,1-3H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)/t29-,30-,31-,32-/s2
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n/an/an/an/a 0.0430n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235814
PNG
(US9359399, 29)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)C(=O)N1CCOCC1
Show InChI InChI=1/C40H59N7O6/c1-28(2)25-34(45-38(50)35(27-30-13-7-4-8-14-30)44-36(48)32(42)26-29-11-5-3-6-12-29)37(49)43-33(15-9-10-18-41)40(52)46-19-16-31(17-20-46)39(51)47-21-23-53-24-22-47/h3-8,11-14,28,31-35H,9-10,15-27,41-42H2,1-2H3,(H,43,49)(H,44,48)(H,45,50)/t32-,33-,34-,35-/s2
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n/an/an/an/a 0.0464n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235785
PNG
(US9359399, 2)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O
Show InChI InChI=1/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/s2
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n/an/an/an/a 0.0480n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235816
PNG
(US9359399, 32)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)N1C(=O)Cc2ccccc12
Show InChI InChI=1/C43H57N7O5/c1-29(2)25-36(48-42(54)37(27-31-15-7-4-8-16-31)47-40(52)34(45)26-30-13-5-3-6-14-30)41(53)46-35(18-11-12-22-44)43(55)49-23-20-33(21-24-49)50-38-19-10-9-17-32(38)28-39(50)51/h3-10,13-17,19,29,33-37H,11-12,18,20-28,44-45H2,1-2H3,(H,46,53)(H,47,52)(H,48,54)/t34-,35-,36-,37-/s2
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n/an/an/an/a 0.0485n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235799
PNG
(US9359399, 11)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O
Show InChI InChI=1/C35H51N9O6/c1-22(2)19-27(30(46)41-26(13-16-40-34(37)38)32(48)44-17-14-35(39,15-18-44)33(49)50)43-31(47)28(21-24-11-7-4-8-12-24)42-29(45)25(36)20-23-9-5-3-6-10-23/h3-12,22,25-28H,13-21,36,39H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)(H,49,50)(H4,37,38,40)/t25-,26-,27-,28-/s2
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n/an/an/an/a 0.0520n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235793
PNG
(US9359399, 3)
Show SMILES CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC(N)(CC1)C(O)=O
Show InChI InChI=1/C37H55N7O6/c1-25(2)22-30(33(46)41-29(16-10-11-19-40-3)35(48)44-20-17-37(39,18-21-44)36(49)50)43-34(47)31(24-27-14-8-5-9-15-27)42-32(45)28(38)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-31,40H,10-11,16-24,38-39H2,1-3H3,(H,41,46)(H,42,45)(H,43,47)(H,49,50)/t28-,29-,30-,31-/s2
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n/an/an/an/a 0.0520n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235800
PNG
(US9359399, 12)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCN)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C38H55N7O6/c1-25(2)22-31(35(47)41-30(15-18-39)37(49)44-20-16-28(17-21-44)45-19-9-14-33(45)38(50)51)43-36(48)32(24-27-12-7-4-8-13-27)42-34(46)29(40)23-26-10-5-3-6-11-26/h3-8,10-13,25,28-33H,9,14-24,39-40H2,1-2H3,(H,41,47)(H,42,46)(H,43,48)(H,50,51)/t29-,30-,31-,32-,33+/s2
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n/an/an/an/a 0.0550n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235789
PNG
(US9359399, 28)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1/C42H55ClN8O5/c1-27(2)23-35(48-40(54)36(25-29-13-7-4-8-14-29)47-38(52)32(45)24-28-11-5-3-6-12-28)39(53)46-33(15-9-10-20-44)41(55)50-21-18-31(19-22-50)51-37-17-16-30(43)26-34(37)49-42(51)56/h3-8,11-14,16-17,26-27,31-33,35-36H,9-10,15,18-25,44-45H2,1-2H3,(H,46,53)(H,47,52)(H,48,54)(H,49,56)/t32-,33-,35-,36-/s2
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n/an/an/an/a 0.0582n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235783
PNG
(US9359399, 4)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C40H59N7O6/c1-27(2)24-33(45-38(50)34(26-29-14-7-4-8-15-29)44-36(48)31(42)25-28-12-5-3-6-13-28)37(49)43-32(16-9-10-20-41)39(51)46-22-18-30(19-23-46)47-21-11-17-35(47)40(52)53/h3-8,12-15,27,30-35H,9-11,16-26,41-42H2,1-2H3,(H,43,49)(H,44,48)(H,45,50)(H,52,53)/t31-,32-,33-,34-,35+/s2
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n/an/an/an/a 0.0750n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235791
PNG
(US9359399, 33)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1/C43H58N8O5/c1-30(2)26-36(49-40(54)37(28-32-16-8-4-9-17-32)48-38(52)34(45)27-31-14-6-3-7-15-31)39(53)47-35(20-12-13-23-44)41(55)50-24-21-43(22-25-50)42(56)46-29-51(43)33-18-10-5-11-19-33/h3-11,14-19,30,34-37H,12-13,20-29,44-45H2,1-2H3,(H,46,56)(H,47,53)(H,48,52)(H,49,54)/t34-,35-,36-,37-/s2
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n/an/an/an/a 0.0767n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235797
PNG
(US9359399, 9)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(C)C)C(=O)N1CCC(N)(CC1)C(O)=O
Show InChI InChI=1/C39H59N7O6/c1-26(2)23-32(35(48)43-31(17-11-12-20-42-27(3)4)37(50)46-21-18-39(41,19-22-46)38(51)52)45-36(49)33(25-29-15-9-6-10-16-29)44-34(47)30(40)24-28-13-7-5-8-14-28/h5-10,13-16,26-27,30-33,42H,11-12,17-25,40-41H2,1-4H3,(H,43,48)(H,44,47)(H,45,49)(H,51,52)/t30-,31-,32-,33-/s2
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n/an/an/an/a 0.0780n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235788
PNG
(US9359399, 23)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1/C35H53N11O4/c1-23(2)20-28(31(48)42-27(14-15-41-34(37)38)33(50)45-16-9-17-46(19-18-45)35(39)40)44-32(49)29(22-25-12-7-4-8-13-25)43-30(47)26(36)21-24-10-5-3-6-11-24/h3-8,10-13,23,26-29H,9,14-22,36H2,1-2H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)(H4,37,38,41)/t26-,27-,28-,29-/s2
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n/an/an/an/a 0.0910n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235809
PNG
(US9359399, 22)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCN)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1/C34H51N9O4/c1-23(2)20-28(31(45)39-27(14-15-35)33(47)42-16-9-17-43(19-18-42)34(37)38)41-32(46)29(22-25-12-7-4-8-13-25)40-30(44)26(36)21-24-10-5-3-6-11-24/h3-8,10-13,23,26-29H,9,14-22,35-36H2,1-2H3,(H3,37,38)(H,39,45)(H,40,44)(H,41,46)/t26-,27-,28-,29-/s2
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n/an/an/an/a 0.0950n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235790
PNG
(US9359399, 30)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1/C44H58N8O5/c1-30(2)26-37(49-42(55)38(28-32-16-8-4-9-17-32)48-40(53)35(46)27-31-14-6-3-7-15-31)41(54)47-36(20-12-13-23-45)43(56)51-24-21-34(22-25-51)52-29-39(50-44(52)57)33-18-10-5-11-19-33/h3-11,14-19,29-30,34-38H,12-13,20-28,45-46H2,1-2H3,(H,47,54)(H,48,53)(H,49,55)(H,50,57)/t35-,36-,37-,38-/s2
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n/an/an/an/a 0.129n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235801
PNG
(US9359399, 14)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C38H55N9O6/c1-24(2)20-29(44-35(50)30(22-26-12-7-4-8-13-26)43-33(48)28(39)21-25-10-5-3-6-11-25)34(49)45-31(23-42-38(40)41)36(51)46-18-15-27(16-19-46)47-17-9-14-32(47)37(52)53/h3-8,10-13,24,27-32H,9,14-23,39H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)(H,52,53)(H4,40,41,42)/t28-,29-,30-,31-,32+/s2
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n/an/an/an/a 0.349n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235817
PNG
(US9359399, 34)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCc1cn2ccccc2n1
Show InChI InChI=1/C38H50N8O4/c1-26(2)21-32(37(49)43-31(17-9-11-19-39)36(48)41-24-29-25-46-20-12-10-18-34(46)42-29)45-38(50)33(23-28-15-7-4-8-16-28)44-35(47)30(40)22-27-13-5-3-6-14-27/h3-8,10,12-16,18,20,25-26,30-33H,9,11,17,19,21-24,39-40H2,1-2H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,31-,32-,33-/s2
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n/an/an/an/a 0.354n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235808
PNG
(US9359399, 20)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCCNCC1
Show InChI InChI=1/C33H49N9O4/c1-22(2)18-26(30(44)41-28(21-38-33(35)36)32(46)42-16-9-14-37-15-17-42)40-31(45)27(20-24-12-7-4-8-13-24)39-29(43)25(34)19-23-10-5-3-6-11-23/h3-8,10-13,22,25-28,37H,9,14-21,34H2,1-2H3,(H,39,43)(H,40,45)(H,41,44)(H4,35,36,38)/t25-,26-,27-,28-/s2
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n/an/an/an/a 0.491n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235807
PNG
(US9359399, 21)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCCNCC1
Show InChI InChI=1/C33H49N9O4/c1-2-3-15-26(30(44)41-28(22-38-33(35)36)32(46)42-18-10-16-37-17-19-42)39-31(45)27(21-24-13-8-5-9-14-24)40-29(43)25(34)20-23-11-6-4-7-12-23/h4-9,11-14,25-28,37H,2-3,10,15-22,34H2,1H3,(H,39,45)(H,40,43)(H,41,44)(H4,35,36,38)/t25-,26-,27-,28-/s2
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n/an/an/an/a 0.732n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/an/an/a 0.810n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay


Bioorg Med Chem 23: 1701-15 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235798
PNG
(US9359399, 10)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O
Show InChI InChI=1/C34H49N9O6/c1-21(2)17-25(29(45)42-27(20-39-33(36)37)31(47)43-15-13-34(38,14-16-43)32(48)49)41-30(46)26(19-23-11-7-4-8-12-23)40-28(44)24(35)18-22-9-5-3-6-10-22/h3-12,21,24-27H,13-20,35,38H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)(H,48,49)(H4,36,37,39)/t24-,25-,26-,27-/s2
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n/an/an/an/a 0.826n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235805
PNG
(US9359399, 18)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1/C34H51N11O4/c1-22(2)18-26(30(47)43-28(21-40-33(36)37)32(49)44-14-9-15-45(17-16-44)34(38)39)42-31(48)27(20-24-12-7-4-8-13-24)41-29(46)25(35)19-23-10-5-3-6-11-23/h3-8,10-13,22,25-28H,9,14-21,35H2,1-2H3,(H3,38,39)(H,41,46)(H,42,48)(H,43,47)(H4,36,37,40)/t25-,26-,27-,28-/s2
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n/an/an/an/a 1.02n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM235806
PNG
(US9359399, 19)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N
Show InChI InChI=1/C34H51N11O4/c1-2-3-15-26(30(47)43-28(22-40-33(36)37)32(49)44-16-10-17-45(19-18-44)34(38)39)41-31(48)27(21-24-13-8-5-9-14-24)42-29(46)25(35)20-23-11-6-4-7-12-23/h4-9,11-14,25-28H,2-3,10,15-22,35H2,1H3,(H3,38,39)(H,41,48)(H,42,46)(H,43,47)(H4,36,37,40)/t25-,26-,27-,28-/s2
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n/an/an/an/a 2.15n/an/an/an/a



Cara Therapeutics, Inc.

US Patent


Assay Description
Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...


US Patent US9359399 (2016)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50292919
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-21(32-28(35)22-13-18-3-1-2-4-20(18)15-31-22)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,21,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t21-,24+,27-,29-,30+/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay


Bioorg Med Chem 23: 1701-15 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50066279
PNG
(CHEMBL2419121)
Show SMILES COc1c(nc(Cl)c2ccccc12)C(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1/C31H32ClN3O5/c1-39-25-18-4-2-3-5-19(18)28(32)34-24(25)29(37)33-20-10-11-31(38)22-14-17-8-9-21(36)26-23(17)30(31,27(20)40-26)12-13-35(22)15-16-6-7-16/h2-5,8-9,16,20,22,27,36,38H,6-7,10-15H2,1H3,(H,33,37)/t20-,22+,27-,30-,31+/s2
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n/an/an/an/a 26n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Partial agonist activity at mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay


Bioorg Med Chem 23: 1701-15 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50066348
PNG
(CHEMBL3401554)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2cc(ccc2cn1)[N+]([O-])=O
Show InChI InChI=1/C30H30N4O6/c35-23-6-4-17-13-24-30(37)8-7-21(27-29(30,25(17)26(23)40-27)9-10-33(24)15-16-1-2-16)32-28(36)22-12-19-11-20(34(38)39)5-3-18(19)14-31-22/h3-6,11-12,14,16,21,24,27,35,37H,1-2,7-10,13,15H2,(H,32,36)/t21-,24+,27-,29-,30+/s2
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n/an/an/an/a 63n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay


Bioorg Med Chem 23: 1701-15 (2015)

More data for this
Ligand-Target Pair