Found 17 hits of ec50 data for polymerid = 2124 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50384053
(CHEMBL2032453)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)NCCOCCOCC(=O)NCC(=O)NCc1cn(nn1)-c1ccc(cc1)C(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1 |r| Show InChI InChI=1S/C66H86N14O12/c1-44(2)37-55(75-65(89)56(39-47-13-7-4-8-14-47)74-63(87)53(68)38-46-11-5-3-6-12-46)64(88)73-54(15-9-10-29-67)66(90)78-31-26-49(27-32-78)61(85)69-30-34-91-35-36-92-43-58(82)71-41-57(81)70-40-51-42-80(77-76-51)52-23-19-48(20-24-52)62(86)72-50-21-16-45(17-22-50)18-25-59(83)79-33-28-60(79)84/h3-8,11-14,16-17,19-24,42,44,49,53-56H,9-10,15,18,25-41,43,67-68H2,1-2H3,(H,69,85)(H,70,81)(H,71,82)(H,72,86)(H,73,88)(H,74,87)(H,75,89)/t53-,54-,55-,56-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at kappa opioid receptor in guinea pig illeum assessed as electric field-stimulated response |
Bioorg Med Chem Lett 22: 4173-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.040
BindingDB Entry DOI: 10.7270/Q2251K62 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50384059
(CHEMBL2032452)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(CC(=O)NCCOCCOCC(=O)NCC(=O)NCc2cn(nn2)-c2ccc(cc2)C(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)CC1 |r| Show InChI InChI=1S/C67H88N14O12/c1-45(2)37-56(76-66(90)57(39-48-13-7-4-8-14-48)75-64(88)54(69)38-47-11-5-3-6-12-47)65(89)74-55(15-9-10-29-68)67(91)79-31-26-49(27-32-79)40-58(82)70-30-34-92-35-36-93-44-60(84)72-42-59(83)71-41-52-43-81(78-77-52)53-23-19-50(20-24-53)63(87)73-51-21-16-46(17-22-51)18-25-61(85)80-33-28-62(80)86/h3-8,11-14,16-17,19-24,43,45,49,54-57H,9-10,15,18,25-42,44,68-69H2,1-2H3,(H,70,82)(H,71,83)(H,72,84)(H,73,87)(H,74,89)(H,75,88)(H,76,90)/t54-,55-,56-,57-/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at kappa opioid receptor in guinea pig illeum assessed as electric field-stimulated response |
Bioorg Med Chem Lett 22: 4173-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.040
BindingDB Entry DOI: 10.7270/Q2251K62 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50384054
(CHEMBL2032447)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(N)=O |r| Show InChI InChI=1S/C30H44N6O4/c1-20(2)17-25(29(39)34-24(27(33)37)15-9-10-16-31)36-30(40)26(19-22-13-7-4-8-14-22)35-28(38)23(32)18-21-11-5-3-6-12-21/h3-8,11-14,20,23-26H,9-10,15-19,31-32H2,1-2H3,(H2,33,37)(H,34,39)(H,35,38)(H,36,40)/t23-,24-,25-,26-/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.220 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at kappa opioid receptor in guinea pig illeum assessed as electric field-stimulated response |
Bioorg Med Chem Lett 22: 4173-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.040
BindingDB Entry DOI: 10.7270/Q2251K62 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50595849
(CHEMBL5169404)Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| | PDB
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| Article
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| n/a | n/a | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50595853
(CHEMBL5177451)Show SMILES CCCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| | PDB
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| n/a | n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM224024
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Binding affinity towards k-opioid receptor k-EL-2 mutant (wild-type) expressed in HEK cells |
J Med Chem 43: 1251-2 (2001)
BindingDB Entry DOI: 10.7270/Q270824F |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50354578
(BUPRENORPHINE | US10752592, Compound buprenorphine...)Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1 | PDB
UniProtKB/SwissProt
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| KEGG
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| Article
PubMed
| n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
University of Bristol
Curated by ChEMBL
| Assay Description
Agonist activity at KOR in guinea pig vas deferens |
J Med Chem 55: 9868-74 (2012)
Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50595847
(CHEMBL5199097)Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1cccc(F)c1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| | PDB
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| PC cid
PC sid
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| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50595846
(CHEMBL5183917)Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| | PDB
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PC sid
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| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50474153
(CHEMBL61630)Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(OC)c12)C(=C/OC)\C(=O)OC |t:15| Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Agonist activity at kappa opioid receptor in guinea pig brain membranes by [35S]-GTPgammaS binding assay |
Eur J Med Chem 183: (2019)
Article DOI: 10.1016/j.ejmech.2019.111701
BindingDB Entry DOI: 10.7270/Q2668HN9 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50474152
(CHEBI:6956 | CHEMBL299031)Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1 | PDB
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KEGG
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Agonist activity at kappa opioid receptor in guinea pig brain membranes by [35S]-GTPgammaS binding assay |
Eur J Med Chem 183: (2019)
Article DOI: 10.1016/j.ejmech.2019.111701
BindingDB Entry DOI: 10.7270/Q2668HN9 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50595851
(CHEMBL5192735)Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
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| Article
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| n/a | n/a | n/a | n/a | 955 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50595848
(CHEMBL5179970)Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1F)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| | PDB
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| PC cid
PC sid
UniChem
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| n/a | n/a | n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM21130
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50393720
(CHEMBL2159122 | CHEMBL3216329)Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O Show InChI InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Agonist activity at kappa opioid receptor guinea pig colon tissue |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50595852
(CHEMBL5194818)Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| | PDB
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| n/a | n/a | n/a | n/a | 1.86E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50595850
(CHEMBL5188021)Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| | PDB
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| n/a | n/a | n/a | n/a | 9.55E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7 |
More data for this
Ligand-Target Pair | |
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