Found 2059 hits of ec50 for UniProtKB: P41145 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM602186
(US11643436, Compound TM-9A)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[C@H]1B(O)O |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MC93Z6 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235813
(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 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | <0.00100 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50561764
(CHEMBL4743180)Show SMILES CNC(=O)NC1CCN(CC1)C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@H](C)c1ccccc1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation measured afte... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00287 BindingDB Entry DOI: 10.7270/Q2J67MN8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50561762
(CHEMBL4785966)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@H](C)c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation measured afte... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00287 BindingDB Entry DOI: 10.7270/Q2J67MN8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235811
(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 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.00270 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM393487
(US9963460, 13)Show SMILES CN(Cc1ccccc1)C(=O)C1=C[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |t:12,TLB:9:11:18.32:14.15| Show InChI InChI=1S/C31H34N2O4/c1-32(17-19-5-3-2-4-6-19)27(35)22-16-29-11-12-31(22,36)28-30(29)13-14-33(18-20-7-8-20)24(29)15-21-9-10-23(34)26(37-28)25(21)30/h2-6,9-10,16,20,24,28,34,36H,7-8,11-15,17-18H2,1H3/t24-,28-,29-,30+,31-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.00280 | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description In a [3SS] GTPγS binding test, the opioid receptor agonist activity of test compounds based on a GTP-GDP exchange reaction was evaluated. In the... |
Bioorg Med Chem Lett 18: 4232-6 (2008)
BindingDB Entry DOI: 10.7270/Q2P55QVB |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235785
(CVD-0019439 | 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 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00300 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation measured afte... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00287 BindingDB Entry DOI: 10.7270/Q2J67MN8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50561760
(CHEMBL4791124)Show SMILES CCC(CNCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O)c1ccccc1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00300 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation measured afte... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00287 BindingDB Entry DOI: 10.7270/Q2J67MN8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235815
(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 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.00420 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50269287
(CHEMBL4087151)Show SMILES [H][C@@]12Oc3c4c(ccc3O)[C@H](O)[C@@]3([H])N(CC5CC5)CC[C@@]14[C@@]3(O)CC[C@H]2N(C)C(=O)\C=C\c1cccs1 |r,THB:15:14:22:4.5.10| Show InChI InChI=1S/C28H32N2O5S/c1-29(21(32)9-6-17-3-2-14-36-17)19-10-11-28(34)25-23(33)18-7-8-20(31)24-22(18)27(28,26(19)35-24)12-13-30(25)15-16-4-5-16/h2-3,6-9,14,16,19,23,25-26,31,33-34H,4-5,10-13,15H2,1H3/b9-6+/t19-,23+,25-,26+,27+,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00466 | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET as... |
Bioorg Med Chem Lett 27: 3920-3924 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.017 BindingDB Entry DOI: 10.7270/Q2ZW1PD9 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235816
(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 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.00500 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235792
(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 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.00520 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50430586
(CHEMBL2338721)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:25.24:4.3| Show InChI InChI=1S/C29H41NO4/c1-17(2)4-8-21(31)20-15-27-10-11-29(20,33-3)26-28(27)12-13-30(16-18-5-6-18)23(27)14-19-7-9-22(32)25(34-26)24(19)28/h7,9,17-18,20-21,23,26,31-32H,4-6,8,10-16H2,1-3H3/t20-,21+,23-,26-,27-,28+,29-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00610 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
J Med Chem 56: 3207-16 (2013)
Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235818
(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 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.00640 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50430613
(CHEMBL2338723)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:26.25:4.3| Show InChI InChI=1S/C30H41NO4/c1-34-30-11-10-28(16-21(30)23(33)14-18-4-2-3-5-18)24-15-20-8-9-22(32)26-25(20)29(28,27(30)35-26)12-13-31(24)17-19-6-7-19/h8-9,18-19,21,23-24,27,32-33H,2-7,10-17H2,1H3/t21-,23+,24-,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00700 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
J Med Chem 56: 3207-16 (2013)
Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50430612
(CHEMBL2338724)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:27.26:4.3| Show InChI InChI=1S/C31H43NO4/c1-35-31-13-12-29(17-22(31)23(33)10-8-19-4-2-3-5-19)25-16-21-9-11-24(34)27-26(21)30(29,28(31)36-27)14-15-32(25)18-20-6-7-20/h9,11,19-20,22-23,25,28,33-34H,2-8,10,12-18H2,1H3/t22-,23+,25-,28-,29-,30+,31-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00770 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
J Med Chem 56: 3207-16 (2013)
Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM602189
(US11643436, Compound TM-26)Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(C1)B(O)O |r,$;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 0.00800 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MC93Z6 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50274347
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.00820 | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at kappa opioid receptor (unknown origin) |
Bioorg Med Chem Lett 27: 3920-3924 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.017 BindingDB Entry DOI: 10.7270/Q2ZW1PD9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235789
(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 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.00830 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235812
(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 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.00830 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM602184
(US11643436, Compound TM-7)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(CC(C2)B(O)O)CC1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 0.00900 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MC93Z6 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM602188
(US11643436, Compound TM-22B)Show SMILES COCCOCCNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CC[C@H](C1)B(O)O |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 0.00900 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MC93Z6 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50430611
(CHEMBL2338725)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:26.25:4.3| Show InChI InChI=1S/C30H41NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h9-10,18-19,21,23,25,27,32-33H,2-8,11-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00980 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
J Med Chem 56: 3207-16 (2013)
Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50561763
(CHEMBL4756370)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@H](C(C)C)c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation measured afte... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00287 BindingDB Entry DOI: 10.7270/Q2J67MN8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50430622
(CHEMBL2338747)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:27.26:4.3| Show InChI InChI=1S/C31H43NO4/c1-28(34,16-19-5-3-4-6-19)23-17-29-11-12-31(23,35-2)27-30(29)13-14-32(18-20-7-8-20)24(29)15-21-9-10-22(33)26(36-27)25(21)30/h9-10,19-20,23-24,27,33-34H,3-8,11-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0110 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
J Med Chem 56: 3207-16 (2013)
Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235790
(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 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0116 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50430587
(CHEMBL2338720)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:24.23:4.3| Show InChI InChI=1S/C28H39NO4/c1-16(2)12-21(31)19-14-26-8-9-28(19,32-3)25-27(26)10-11-29(15-17-4-5-17)22(26)13-18-6-7-20(30)24(33-25)23(18)27/h6-7,16-17,19,21-22,25,30-31H,4-5,8-15H2,1-3H3/t19-,21+,22-,25-,26-,27+,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0130 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
J Med Chem 56: 3207-16 (2013)
Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235814
(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 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0145 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50159165
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0150 | n/a | n/a | n/a | n/a |
Universit£t M£nster
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in HEK293T cells assessed as inhibition of Galphai-mediated cAMP accumulation after 15 mins by microbeta coun... |
J Med Chem 62: 893-907 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01609 BindingDB Entry DOI: 10.7270/Q2F47SHX |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50598862
(CHEMBL5178795)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccccc1)ccc3OC |r,THB:10:9:4.5.6:17| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0150 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00014 BindingDB Entry DOI: 10.7270/Q2QJ7N96 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50561761
(CHEMBL4760663)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@@H](C)c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0160 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation measured afte... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00287 BindingDB Entry DOI: 10.7270/Q2J67MN8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50430601
(CHEMBL2338753)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3| Show InChI InChI=1S/C33H41NO4/c1-30(36,13-12-21-6-4-3-5-7-21)25-19-31-14-15-33(25,37-2)29-32(31)16-17-34(20-22-8-9-22)26(31)18-23-10-11-24(35)28(38-29)27(23)32/h3-7,10-11,22,25-26,29,35-36H,8-9,12-20H2,1-2H3/t25-,26-,29-,30-,31-,32+,33-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0160 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
J Med Chem 56: 3207-16 (2013)
Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235791
(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 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0165 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50430619
(CHEMBL2338750)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:28.27:4.3| Show InChI InChI=1S/C32H45NO4/c1-29(35,17-20-6-4-3-5-7-20)24-18-30-12-13-32(24,36-2)28-31(30)14-15-33(19-21-8-9-21)25(30)16-22-10-11-23(34)27(37-28)26(22)31/h10-11,20-21,24-25,28,34-35H,3-9,12-19H2,1-2H3/t24-,25-,28-,29-,30-,31+,32-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0170 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
J Med Chem 56: 3207-16 (2013)
Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50034553
(CHEMBL3359804)Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1C#C)C(=O)OC |r| Show InChI InChI=1S/C25H28O8/c1-6-17-14(8-10-31-17)19-12-25(4)15(23(29)33-19)7-9-24(3)16(22(28)30-5)11-18(32-13(2)26)20(27)21(24)25/h1,8,10,15-16,18-19,21H,7,9,11-12H2,2-5H3/t15-,16-,18-,19-,21-,24-,25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0190 | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa... |
J Med Chem 57: 10464-75 (2014)
Article DOI: 10.1021/jm501521d BindingDB Entry DOI: 10.7270/Q2J38V6P |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50430585
(CHEMBL2338722)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)C1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:25.24:4.3| Show InChI InChI=1S/C29H39NO4/c1-33-29-11-10-27(15-20(29)24(32)18-4-2-3-5-18)22-14-19-8-9-21(31)25-23(19)28(27,26(29)34-25)12-13-30(22)16-17-6-7-17/h8-9,17-18,20,22,24,26,31-32H,2-7,10-16H2,1H3/t20-,22-,24+,26-,27-,28+,29-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
J Med Chem 56: 3207-16 (2013)
Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM235817
(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 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0208 | n/a | n/a | n/a | 25 |
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)
BindingDB Entry DOI: 10.7270/Q23B5Z2C |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50269282
(CHEMBL4082823)Show SMILES [H][C@@]12Oc3c4c(ccc3O)[C@H](O)[C@@]3([H])N(CC5CC5)CC[C@@]14[C@@]3(O)CC[C@H]2N(C)C(=O)\C=C\c1ccccc1 |r,THB:15:14:22:4.5.10| Show InChI InChI=1S/C30H34N2O5/c1-31(23(34)12-9-18-5-3-2-4-6-18)21-13-14-30(36)27-25(35)20-10-11-22(33)26-24(20)29(30,28(21)37-26)15-16-32(27)17-19-7-8-19/h2-6,9-12,19,21,25,27-28,33,35-36H,7-8,13-17H2,1H3/b12-9+/t21-,25+,27-,28+,29+,30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0222 | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET as... |
Bioorg Med Chem Lett 27: 3920-3924 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.017 BindingDB Entry DOI: 10.7270/Q2ZW1PD9 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50269278
(CHEMBL4103819)Show SMILES [H][C@@]12Oc3c4c(ccc3O)[C@H](O)[C@@]3([H])N(CC5CC5)CC[C@@]14[C@@]3(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1 |r,THB:15:14:22:4.5.10| Show InChI InChI=1S/C28H32N2O6/c1-29(21(32)7-4-17-9-13-35-15-17)19-8-10-28(34)25-23(33)18-5-6-20(31)24-22(18)27(28,26(19)36-24)11-12-30(25)14-16-2-3-16/h4-7,9,13,15-16,19,23,25-26,31,33-34H,2-3,8,10-12,14H2,1H3/b7-4+/t19-,23+,25-,26+,27+,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0250 | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET as... |
Bioorg Med Chem Lett 27: 3920-3924 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.017 BindingDB Entry DOI: 10.7270/Q2ZW1PD9 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50325534
(CHEMBL267495 | nalfurafine)Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.0250 | n/a | n/a | n/a | n/a |
McLean Hospital
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
Bioorg Med Chem 16: 1279-86 (2008)
Article DOI: 10.1016/j.bmc.2007.10.067 BindingDB Entry DOI: 10.7270/Q2ZK5HJF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50269278
(CHEMBL4103819)Show SMILES [H][C@@]12Oc3c4c(ccc3O)[C@H](O)[C@@]3([H])N(CC5CC5)CC[C@@]14[C@@]3(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1 |r,THB:15:14:22:4.5.10| Show InChI InChI=1S/C28H32N2O6/c1-29(21(32)7-4-17-9-13-35-15-17)19-8-10-28(34)25-23(33)18-5-6-20(31)24-22(18)27(28,26(19)36-24)11-12-30(25)14-16-2-3-16/h4-7,9,13,15-16,19,23,25-26,31,33-34H,2-3,8,10-12,14H2,1H3/b7-4+/t19-,23+,25-,26+,27+,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0250 | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor |
Bioorg Med Chem Lett 27: 3920-3924 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.017 BindingDB Entry DOI: 10.7270/Q2ZW1PD9 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50269291
(CHEMBL4064781)Show SMILES [H][C@@]12Oc3c4c(ccc3O)[C@H](O)[C@@]3([H])N(CC5CC5)CC[C@@]14[C@@]3(O)CC[C@H]2N(C)C(=O)\C=C\c1ccncc1 |r,THB:15:14:22:4.5.10| Show InChI InChI=1S/C29H33N3O5/c1-31(22(34)7-4-17-9-13-30-14-10-17)20-8-11-29(36)26-24(35)19-5-6-21(33)25-23(19)28(29,27(20)37-25)12-15-32(26)16-18-2-3-18/h4-7,9-10,13-14,18,20,24,26-27,33,35-36H,2-3,8,11-12,15-16H2,1H3/b7-4+/t20-,24+,26-,27+,28+,29-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0257 | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET as... |
Bioorg Med Chem Lett 27: 3920-3924 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.017 BindingDB Entry DOI: 10.7270/Q2ZW1PD9 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50430621
(CHEMBL2338748)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:28.27:4.3| Show InChI InChI=1S/C32H45NO4/c1-29(35,12-11-20-5-3-4-6-20)24-18-30-13-14-32(24,36-2)28-31(30)15-16-33(19-21-7-8-21)25(30)17-22-9-10-23(34)27(37-28)26(22)31/h9-10,20-21,24-25,28,34-35H,3-8,11-19H2,1-2H3/t24-,25-,28-,29-,30-,31+,32-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0270 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
J Med Chem 56: 3207-16 (2013)
Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM602183
(US11643436, Compound TM-5)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=C(C1)B(O)O |r,$;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,c:44| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 0.0270 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MC93Z6 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50269292
(CHEMBL4066058)Show SMILES [H][C@@]12Oc3c4c(ccc3O)[C@H](O)[C@@]3([H])N(CC5CC5)CC[C@@]14[C@@]3(O)CC[C@H]2N(C)C(=O)\C=C\c1ccsc1 |r,THB:15:14:22:4.5.10| Show InChI InChI=1S/C28H32N2O5S/c1-29(21(32)7-4-17-9-13-36-15-17)19-8-10-28(34)25-23(33)18-5-6-20(31)24-22(18)27(28,26(19)35-24)11-12-30(25)14-16-2-3-16/h4-7,9,13,15-16,19,23,25-26,31,33-34H,2-3,8,10-12,14H2,1H3/b7-4+/t19-,23+,25-,26+,27+,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0280 | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET as... |
Bioorg Med Chem Lett 27: 3920-3924 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.017 BindingDB Entry DOI: 10.7270/Q2ZW1PD9 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50269298
(CHEMBL4077552)Show SMILES [H][C@@]12Oc3c4c(ccc3O)[C@H](O)[C@@]3([H])N(CC5CC5)CC[C@@]14[C@@]3(O)CC[C@H]2N(C)C(=O)\C=C\c1ccccn1 |r,THB:15:14:22:4.5.10| Show InChI InChI=1S/C29H33N3O5/c1-31(22(34)10-7-18-4-2-3-14-30-18)20-11-12-29(36)26-24(35)19-8-9-21(33)25-23(19)28(29,27(20)37-25)13-15-32(26)16-17-5-6-17/h2-4,7-10,14,17,20,24,26-27,33,35-36H,5-6,11-13,15-16H2,1H3/b10-7+/t20-,24+,26-,27+,28+,29-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0283 | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET as... |
Bioorg Med Chem Lett 27: 3920-3924 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.017 BindingDB Entry DOI: 10.7270/Q2ZW1PD9 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50269289
(CHEMBL4080324)Show SMILES [H][C@@]12Oc3c4c(ccc3O)[C@H](O)[C@@]3([H])N(CC5CC5)CC[C@@]14[C@@]3(O)CC[C@H]2N(C)C(=O)\C=C\c1ccc(Cl)cc1 |r,THB:15:14:22:4.5.10| Show InChI InChI=1S/C30H33ClN2O5/c1-32(23(35)11-6-17-4-7-19(31)8-5-17)21-12-13-30(37)27-25(36)20-9-10-22(34)26-24(20)29(30,28(21)38-26)14-15-33(27)16-18-2-3-18/h4-11,18,21,25,27-28,34,36-37H,2-3,12-16H2,1H3/b11-6+/t21-,25+,27-,28+,29+,30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0288 | n/a | n/a | n/a | n/a |
Toray Industries, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET as... |
Bioorg Med Chem Lett 27: 3920-3924 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.017 BindingDB Entry DOI: 10.7270/Q2ZW1PD9 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50430610
(CHEMBL2338726)Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:27.26:4.3| Show InChI InChI=1S/C31H43NO4/c1-35-31-12-11-29(17-22(31)24(34)15-19-5-3-2-4-6-19)25-16-21-9-10-23(33)27-26(21)30(29,28(31)36-27)13-14-32(25)18-20-7-8-20/h9-10,19-20,22,24-25,28,33-34H,2-8,11-18H2,1H3/t22-,24+,25-,28-,29-,30+,31-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0290 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding |
J Med Chem 56: 3207-16 (2013)
Article DOI: 10.1021/jm301543e BindingDB Entry DOI: 10.7270/Q28G8N2Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM309432
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(3,4-dic...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3ccc(Cl)c(Cl)c3)c2c1 |r,TLB:8:7:18:32.4.5| Show InChI InChI=1S/C27H30Cl2N2O3/c28-22-6-3-17(9-23(22)29)14-30-25(33)19-12-26-7-8-31(15-16-1-2-16)24(27(26,34)13-19)10-18-4-5-20(32)11-21(18)26/h3-6,9,11,16,19,24,32,34H,1-2,7-8,10,12-15H2,(H,30,33)/t19-,24+,26+,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
Purdue Pharma L.P.
US Patent
| Assay Description Radioligand binding assays (screening and dose-displacement) use 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 μg... |
US Patent US9656962 (2017)
BindingDB Entry DOI: 10.7270/Q2K076BH |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50159165
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa... |
J Med Chem 57: 10464-75 (2014)
Article DOI: 10.1021/jm501521d BindingDB Entry DOI: 10.7270/Q2J38V6P |
More data for this Ligand-Target Pair | |