BindingDB logo
myBDB logout

USPatent US9688638

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50027366
PNG
(Ketazocine | US10081602, Example Ketazocine | US10...)
Show SMILES [H][C@@]12[C@H](C)[C@@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O |TLB:3:2:20.13.19:8.6.7|
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
US Patent
 1.30 -50.7 5.60n/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168148
PNG
(US10081602, Example 20 | US10865186, Compound 20 |...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O |r,TLB:0:1:12.44.45:9.8.3|
Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 2.86 -48.8n/an/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168147
PNG
(US10081602, Example 12 | US9688638, 12)
Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1 |r,TLB:30:29:26.40.25:35.34.33|
Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 5 -47.4n/an/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM168148
PNG
(US10081602, Example 20 | US10865186, Compound 20 |...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O |r,TLB:0:1:12.44.45:9.8.3|
Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 44 -42.0n/an/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM168147
PNG
(US10081602, Example 12 | US9688638, 12)
Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1 |r,TLB:30:29:26.40.25:35.34.33|
Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 58 -41.3n/an/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168144
PNG
(US10865186, Compound 4 | US9688638, 4 | US9688638,...)
Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H37NO5/c1-18-23-24(27)21-7-6-20(31-15-14-30-13-12-29-11-10-28-3)16-22(21)25(18,2)8-9-26(23)17-19-4-5-19/h6-7,16,18-19,23H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 203 -38.2 879n/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168150
PNG
(US10081602, Example 24 | US10865186, Compound 24 |...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1|
Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 494 -36.0n/an/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM166783
PNG
(US9688638, 1 | US9688638, 2 | US9688638, 3)
Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H38N2O4/c1-18-23-24(28)21-7-6-20(26-9-11-30-14-15-31-13-12-29-3)16-22(21)25(18,2)8-10-27(23)17-19-4-5-19/h6-7,16,18-19,23,26H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 549 -35.7 2.38E+3n/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM166783
PNG
(US9688638, 1 | US9688638, 2 | US9688638, 3)
Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H38N2O4/c1-18-23-24(28)21-7-6-20(26-9-11-30-14-15-31-13-12-29-3)16-22(21)25(18,2)8-10-27(23)17-19-4-5-19/h6-7,16,18-19,23,26H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 619 -35.4 2.68E+3n/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM166783
PNG
(US9688638, 1 | US9688638, 2 | US9688638, 3)
Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H38N2O4/c1-18-23-24(28)21-7-6-20(26-9-11-30-14-15-31-13-12-29-3)16-22(21)25(18,2)8-10-27(23)17-19-4-5-19/h6-7,16,18-19,23,26H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 769 -34.9 3.33E+3n/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168151
PNG
(US10081602, Example 25 | US9688638, 25)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12 |r,THB:26:25:30.17.36:19|
Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 955 -34.4n/an/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168149
PNG
(US10081602, Example 23 | US10865186, Compound 23 |...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1|
Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.06E+3 -34.1n/an/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168144
PNG
(US10865186, Compound 4 | US9688638, 4 | US9688638,...)
Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H37NO5/c1-18-23-24(27)21-7-6-20(31-15-14-30-13-12-29-11-10-28-3)16-22(21)25(18,2)8-9-26(23)17-19-4-5-19/h6-7,16,18-19,23H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.40E+3 -33.4 6.08E+3n/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM168150
PNG
(US10081602, Example 24 | US10865186, Compound 24 |...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1|
Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.81E+3 -32.8n/an/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168144
PNG
(US10865186, Compound 4 | US9688638, 4 | US9688638,...)
Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H37NO5/c1-18-23-24(27)21-7-6-20(31-15-14-30-13-12-29-11-10-28-3)16-22(21)25(18,2)8-9-26(23)17-19-4-5-19/h6-7,16,18-19,23H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 2.96E+3 -31.6 1.28E+4n/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM168151
PNG
(US10081602, Example 25 | US9688638, 25)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12 |r,THB:26:25:30.17.36:19|
Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 3.92E+3 -30.9n/an/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM168149
PNG
(US10081602, Example 23 | US10865186, Compound 23 |...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1|
Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 7.96E+3 -29.1n/an/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50027366
PNG
(Ketazocine | US10081602, Example Ketazocine | US10...)
Show SMILES [H][C@@]12[C@H](C)[C@@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O |TLB:3:2:20.13.19:8.6.7|
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 8.40n/an/an/an/a7.525



Nektar Therapeutics

US Patent


Assay Description
Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM168149
PNG
(US10081602, Example 23 | US10865186, Compound 23 |...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1|
Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.29E+3n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168144
PNG
(US10865186, Compound 4 | US9688638, 4 | US9688638,...)
Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H37NO5/c1-18-23-24(27)21-7-6-20(31-15-14-30-13-12-29-11-10-28-3)16-22(21)25(18,2)8-9-26(23)17-19-4-5-19/h6-7,16,18-19,23H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 9.35n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50027366
PNG
(Ketazocine | US10081602, Example Ketazocine | US10...)
Show SMILES [H][C@@]12[C@H](C)[C@@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O |TLB:3:2:20.13.19:8.6.7|
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
US Patent
n/an/an/an/a 0.550n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM168147
PNG
(US10081602, Example 12 | US9688638, 12)
Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1 |r,TLB:30:29:26.40.25:35.34.33|
Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 189n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168144
PNG
(US10865186, Compound 4 | US9688638, 4 | US9688638,...)
Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H37NO5/c1-18-23-24(27)21-7-6-20(31-15-14-30-13-12-29-11-10-28-3)16-22(21)25(18,2)8-9-26(23)17-19-4-5-19/h6-7,16,18-19,23H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 350n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM166783
PNG
(US9688638, 1 | US9688638, 2 | US9688638, 3)
Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H38N2O4/c1-18-23-24(28)21-7-6-20(26-9-11-30-14-15-31-13-12-29-3)16-22(21)25(18,2)8-10-27(23)17-19-4-5-19/h6-7,16,18-19,23,26H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 153n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM166783
PNG
(US9688638, 1 | US9688638, 2 | US9688638, 3)
Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H38N2O4/c1-18-23-24(28)21-7-6-20(26-9-11-30-14-15-31-13-12-29-3)16-22(21)25(18,2)8-10-27(23)17-19-4-5-19/h6-7,16,18-19,23,26H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 122n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM168151
PNG
(US10081602, Example 25 | US9688638, 25)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12 |r,THB:26:25:30.17.36:19|
Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.21E+3n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM168148
PNG
(US10081602, Example 20 | US10865186, Compound 20 |...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O |r,TLB:0:1:12.44.45:9.8.3|
Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 128n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM168150
PNG
(US10081602, Example 24 | US10865186, Compound 24 |...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1|
Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 580n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168151
PNG
(US10081602, Example 25 | US9688638, 25)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12 |r,THB:26:25:30.17.36:19|
Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 195n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM166783
PNG
(US9688638, 1 | US9688638, 2 | US9688638, 3)
Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H38N2O4/c1-18-23-24(28)21-7-6-20(26-9-11-30-14-15-31-13-12-29-3)16-22(21)25(18,2)8-10-27(23)17-19-4-5-19/h6-7,16,18-19,23,26H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 139n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168150
PNG
(US10081602, Example 24 | US10865186, Compound 24 |...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1|
Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 107n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168148
PNG
(US10081602, Example 20 | US10865186, Compound 20 |...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O |r,TLB:0:1:12.44.45:9.8.3|
Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.10n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168147
PNG
(US10081602, Example 12 | US9688638, 12)
Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1 |r,TLB:30:29:26.40.25:35.34.33|
Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168149
PNG
(US10081602, Example 23 | US10865186, Compound 23 |...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1|
Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 395n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM168144
PNG
(US10865186, Compound 4 | US9688638, 4 | US9688638,...)
Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15|
Show InChI InChI=1S/C25H37NO5/c1-18-23-24(27)21-7-6-20(31-15-14-30-13-12-29-11-10-28-3)16-22(21)25(18,2)8-9-26(23)17-19-4-5-19/h6-7,16,18-19,23H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 357n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...

US Patent US9688638 (2017)


BindingDB Entry DOI: 10.7270/Q2VM49FN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%