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PubMed code 24690494

Compile data set for download or QSAR
Found 92 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


(Cavia porcellus (domestic guinea pig))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor in guinea pig caudate assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350976
PNG
(CHEMBL1818341)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] bindin...


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50012152
PNG
(CHEMBL3264441)
Show SMILES CCOC(=O)C(CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H36N2O6/c1-4-35-27(34)25(36-26(33)24-13-19-8-9-23(32)12-20(19)15-29-24)17-30-11-10-28(3,18(2)16-30)21-6-5-7-22(31)14-21/h5-9,12,14,18,24-25,29,31-32H,4,10-11,13,15-17H2,1-3H3/t18-,24+,25?,28+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mu opioid receptor in guinea pig caudate assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50012151
PNG
(CHEMBL3264440)
Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,24+,26+/m0/s1
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6.60n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mu opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350976
PNG
(CHEMBL1818341)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3
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10n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50012151
PNG
(CHEMBL3264440)
Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,24+,26+/m0/s1
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25n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50012152
PNG
(CHEMBL3264441)
Show SMILES CCOC(=O)C(CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H36N2O6/c1-4-35-27(34)25(36-26(33)24-13-19-8-9-23(32)12-20(19)15-29-24)17-30-11-10-28(3,18(2)16-30)21-6-5-7-22(31)14-21/h5-9,12,14,18,24-25,29,31-32H,4,10-11,13,15-17H2,1-3H3/t18-,24+,25?,28+/m0/s1
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27n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mu opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50012153
PNG
(ZYKLOPHIN | zyklophin)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)[C@@H](C)CC |r|
Show InChI InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
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30n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50012150
PNG
(CHEMBL3264439)
Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1
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159n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50012150
PNG
(CHEMBL3264439)
Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1
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186n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mu opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50012151
PNG
(CHEMBL3264440)
Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,24+,26+/m0/s1
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221n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from delta opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50012150
PNG
(CHEMBL3264439)
Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1
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475n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from delta opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM71610
PNG
(KSC-1-256 | KUC104502N | ML190 | cid_44665680)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H32N6O3/c1-20-10-12-29-26-25(20)32-14-3-5-23(32)27(35)33(26)19-24(34)28-11-4-13-30-15-17-31(18-16-30)21-6-8-22(36-2)9-7-21/h3,5-10,12,14H,4,11,13,15-19H2,1-2H3,(H,28,34)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to NET (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha2C receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM71610
PNG
(KSC-1-256 | KUC104502N | ML190 | cid_44665680)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H32N6O3/c1-20-10-12-29-26-25(20)32-14-3-5-23(32)27(35)33(26)19-24(34)28-11-4-13-30-15-17-31(18-16-30)21-6-8-22(36-2)9-7-21/h3,5-10,12,14H,4,11,13,15-19H2,1-2H3,(H,28,34)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM75566
PNG
(KSC-11-114-1 | KUC105392N | N-[2-[benzyl(tert-buty...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-22-10-16-26(17-11-22)35(33,34)30-20-23-12-14-25(15-13-23)27(32)29-18-19-31(28(2,3)4)21-24-8-6-5-7-9-24/h5-17,30H,18-21H2,1-4H3,(H,29,32)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to NET (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM75566
PNG
(KSC-11-114-1 | KUC105392N | N-[2-[benzyl(tert-buty...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-22-10-16-26(17-11-22)35(33,34)30-20-23-12-14-25(15-13-23)27(32)29-18-19-31(28(2,3)4)21-24-8-6-5-7-9-24/h5-17,30H,18-21H2,1-4H3,(H,29,32)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM71610
PNG
(KSC-1-256 | KUC104502N | ML190 | cid_44665680)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H32N6O3/c1-20-10-12-29-26-25(20)32-14-3-5-23(32)27(35)33(26)19-24(34)28-11-4-13-30-15-17-31(18-16-30)21-6-8-22(36-2)9-7-21/h3,5-10,12,14H,4,11,13,15-19H2,1-2H3,(H,28,34)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM75566
PNG
(KSC-11-114-1 | KUC105392N | N-[2-[benzyl(tert-buty...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-22-10-16-26(17-11-22)35(33,34)30-20-23-12-14-25(15-13-23)27(32)29-18-19-31(28(2,3)4)21-24-8-6-5-7-9-24/h5-17,30H,18-21H2,1-4H3,(H,29,32)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M4 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM75566
PNG
(KSC-11-114-1 | KUC105392N | N-[2-[benzyl(tert-buty...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-22-10-16-26(17-11-22)35(33,34)30-20-23-12-14-25(15-13-23)27(32)29-18-19-31(28(2,3)4)21-24-8-6-5-7-9-24/h5-17,30H,18-21H2,1-4H3,(H,29,32)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M4 receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2B receptor (unknown origin)


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50012152
PNG
(CHEMBL3264441)
Show SMILES CCOC(=O)C(CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H36N2O6/c1-4-35-27(34)25(36-26(33)24-13-19-8-9-23(32)12-20(19)15-29-24)17-30-11-10-28(3,18(2)16-30)21-6-5-7-22(31)14-21/h5-9,12,14,18,24-25,29,31-32H,4,10-11,13,15-17H2,1-3H3/t18-,24+,25?,28+/m0/s1
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1.06E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from delta opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71610
PNG
(KSC-1-256 | KUC104502N | ML190 | cid_44665680)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H32N6O3/c1-20-10-12-29-26-25(20)32-14-3-5-23(32)27(35)33(26)19-24(34)28-11-4-13-30-15-17-31(18-16-30)21-6-8-22(36-2)9-7-21/h3,5-10,12,14H,4,11,13,15-19H2,1-2H3,(H,28,34)
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n/an/a 3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71613
PNG
(KSC-1-265 | KUC104505N | cid_44665679)
Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1
Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)
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n/an/a 4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50012149
PNG
(CHEMBL3264446 | US10118915, Compound 105 | US96829...)
Show SMILES COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1 |r|
Show InChI InChI=1S/C18H26BrN3O3/c1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13/h9-10,13,15-16,21,23H,2-8,11H2,1H3/t15-,16-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] bindin...


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM75566
PNG
(KSC-11-114-1 | KUC105392N | N-[2-[benzyl(tert-buty...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-22-10-16-26(17-11-22)35(33,34)30-20-23-12-14-25(15-13-23)27(32)29-18-19-31(28(2,3)4)21-24-8-6-5-7-9-24/h5-17,30H,18-21H2,1-4H3,(H,29,32)
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n/an/a 30n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM75566
PNG
(KSC-11-114-1 | KUC105392N | N-[2-[benzyl(tert-buty...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-22-10-16-26(17-11-22)35(33,34)30-20-23-12-14-25(15-13-23)27(32)29-18-19-31(28(2,3)4)21-24-8-6-5-7-9-24/h5-17,30H,18-21H2,1-4H3,(H,29,32)
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n/an/a 60n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71611
PNG
(KSC-1-261 | KUC104503N | cid_44665687)
Show SMILES Cc1ccnc2n(CC(=O)NCCCN3CCN(CC3)c3ccc(Cl)cc3)c(=O)c3cccn3c12
Show InChI InChI=1S/C26H29ClN6O2/c1-19-9-11-29-25-24(19)32-13-2-4-22(32)26(35)33(25)18-23(34)28-10-3-12-30-14-16-31(17-15-30)21-7-5-20(27)6-8-21/h2,4-9,11,13H,3,10,12,14-18H2,1H3,(H,28,34)
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n/an/a 70n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71610
PNG
(KSC-1-256 | KUC104502N | ML190 | cid_44665680)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H32N6O3/c1-20-10-12-29-26-25(20)32-14-3-5-23(32)27(35)33(26)19-24(34)28-11-4-13-30-15-17-31(18-16-30)21-6-8-22(36-2)9-7-21/h3,5-10,12,14H,4,11,13,15-19H2,1-2H3,(H,28,34)
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n/an/a 120n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71613
PNG
(KSC-1-265 | KUC104505N | cid_44665679)
Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1
Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)
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n/an/a 190n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50012149
PNG
(CHEMBL3264446 | US10118915, Compound 105 | US96829...)
Show SMILES COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1 |r|
Show InChI InChI=1S/C18H26BrN3O3/c1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13/h9-10,13,15-16,21,23H,2-8,11H2,1H3/t15-,16-/m1/s1
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n/an/a 343n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50012148
PNG
(CHEMBL3183148)
Show SMILES CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC(CC1)NC1CCCCC1O
Show InChI InChI=1S/C22H33N3O5/c1-4-30-22(28)17-13-16(21(27)29-3)14(2)23-20(17)25-11-9-15(10-12-25)24-18-7-5-6-8-19(18)26/h13,15,18-19,24,26H,4-12H2,1-3H3
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n/an/a 376n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] bindin...


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71581
PNG
(KSC-5-280C | KUC104162N | N-[2-[(4-bromobenzyl)-is...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C27H32BrN3O3S/c1-20(2)31(19-23-8-12-25(28)13-9-23)17-16-29-27(32)24-10-6-22(7-11-24)18-30-35(33,34)26-14-4-21(3)5-15-26/h4-15,20,30H,16-19H2,1-3H3,(H,29,32)
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n/an/a 570n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71581
PNG
(KSC-5-280C | KUC104162N | N-[2-[(4-bromobenzyl)-is...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C27H32BrN3O3S/c1-20(2)31(19-23-8-12-25(28)13-9-23)17-16-29-27(32)24-10-6-22(7-11-24)18-30-35(33,34)26-14-4-21(3)5-15-26/h4-15,20,30H,16-19H2,1-3H3,(H,29,32)
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n/an/a 660n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71611
PNG
(KSC-1-261 | KUC104503N | cid_44665687)
Show SMILES Cc1ccnc2n(CC(=O)NCCCN3CCN(CC3)c3ccc(Cl)cc3)c(=O)c3cccn3c12
Show InChI InChI=1S/C26H29ClN6O2/c1-19-9-11-29-25-24(19)32-13-2-4-22(32)26(35)33(25)18-23(34)28-10-3-12-30-14-16-31(17-15-30)21-7-5-20(27)6-8-21/h2,4-9,11,13H,3,10,12,14-18H2,1H3,(H,28,34)
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n/an/a 690n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71619
PNG
(KSC-1-278 | KUC104646N | cid_45100475)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H29BrN6O3/c1-36-21-7-5-20(6-8-21)31-14-12-30(13-15-31)10-3-9-28-24(34)18-33-25-23(16-19(27)17-29-25)32-11-2-4-22(32)26(33)35/h2,4-8,11,16-17H,3,9-10,12-15,18H2,1H3,(H,28,34)
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n/an/a 700n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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n/an/a 860n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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n/an/a 860n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/a 1.12E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54842
PNG
(MLS001123392 | SMR000627745 | cid_22553442)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-35-21-9-7-20(8-10-21)30-17-15-29(16-18-30)13-4-12-27-24(33)19-32-25-22(5-2-11-28-25)31-14-3-6-23(31)26(32)34/h2-3,5-11,14H,4,12-13,15-19H2,1H3,(H,27,33)
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM75566
PNG
(KSC-11-114-1 | KUC105392N | N-[2-[benzyl(tert-buty...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-22-10-16-26(17-11-22)35(33,34)30-20-23-12-14-25(15-13-23)27(32)29-18-19-31(28(2,3)4)21-24-8-6-5-7-9-24/h5-17,30H,18-21H2,1-4H3,(H,29,32)
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n/an/a 1.39E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54842
PNG
(MLS001123392 | SMR000627745 | cid_22553442)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-35-21-9-7-20(8-10-21)30-17-15-29(16-18-30)13-4-12-27-24(33)19-32-25-22(5-2-11-28-25)31-14-3-6-23(31)26(32)34/h2-3,5-11,14H,4,12-13,15-19H2,1H3,(H,27,33)
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n/an/a 1.95E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50350976
PNG
(CHEMBL1818341)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/a 2.55E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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n/an/a 2.93E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71619
PNG
(KSC-1-278 | KUC104646N | cid_45100475)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H29BrN6O3/c1-36-21-7-5-20(6-8-21)31-14-12-30(13-15-31)10-3-9-28-24(34)18-33-25-23(16-19(27)17-29-25)32-11-2-4-22(32)26(33)35/h2,4-8,11,16-17H,3,9-10,12-15,18H2,1H3,(H,28,34)
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n/an/a 3.05E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50012149
PNG
(CHEMBL3264446 | US10118915, Compound 105 | US96829...)
Show SMILES COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1 |r|
Show InChI InChI=1S/C18H26BrN3O3/c1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13/h9-10,13,15-16,21,23H,2-8,11H2,1H3/t15-,16-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as inhibition of SNC-80-stimulated [35S]-GTP[gammaS] bindin...


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM62203
PNG
(2-(4-ketopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[4-(4...)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H31N5O3/c1-35-22-11-9-21(10-12-22)30-18-16-29(17-19-30)14-5-13-28-26(33)20-32-24-7-3-2-6-23(24)31-15-4-8-25(31)27(32)34/h2-4,6-12,15H,5,13-14,16-20H2,1H3,(H,28,33)
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n/an/a 4.32E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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n/an/a 5.57E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50012148
PNG
(CHEMBL3183148)
Show SMILES CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC(CC1)NC1CCCCC1O
Show InChI InChI=1S/C22H33N3O5/c1-4-30-22(28)17-13-16(21(27)29-3)14(2)23-20(17)25-11-9-15(10-12-25)24-18-7-5-6-8-19(18)26/h13,15,18-19,24,26H,4-12H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as inhibition of SNC-80-stimulated [35S]-GTP[gammaS] bindin...


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50012148
PNG
(CHEMBL3183148)
Show SMILES CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC(CC1)NC1CCCCC1O
Show InChI InChI=1S/C22H33N3O5/c1-4-30-22(28)17-13-16(21(27)29-3)14(2)23-20(17)25-11-9-15(10-12-25)24-18-7-5-6-8-19(18)26/h13,15,18-19,24,26H,4-12H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM71619
PNG
(KSC-1-278 | KUC104646N | cid_45100475)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H29BrN6O3/c1-36-21-7-5-20(6-8-21)31-14-12-30(13-15-31)10-3-9-28-24(34)18-33-25-23(16-19(27)17-29-25)32-11-2-4-22(32)26(33)35/h2,4-8,11,16-17H,3,9-10,12-15,18H2,1H3,(H,28,34)
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n/an/a 1.03E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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n/an/a 1.03E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM62203
PNG
(2-(4-ketopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[4-(4...)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H31N5O3/c1-35-22-11-9-21(10-12-22)30-18-16-29(17-19-30)14-5-13-28-26(33)20-32-24-7-3-2-6-23(24)31-15-4-8-25(31)27(32)34/h2-4,6-12,15H,5,13-14,16-20H2,1H3,(H,28,33)
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n/an/a 1.53E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65830
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-[(p...)
Show SMILES CC(C)N(CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C28H35N3O3S/c1-22(2)31(21-25-8-5-4-6-9-25)19-7-18-29-28(32)26-14-12-24(13-15-26)20-30-35(33,34)27-16-10-23(3)11-17-27/h4-6,8-17,22,30H,7,18-21H2,1-3H3,(H,29,32)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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n/an/a>2.40E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM71613
PNG
(KSC-1-265 | KUC104505N | cid_44665679)
Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1
Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)
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n/an/a 3.09E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM54842
PNG
(MLS001123392 | SMR000627745 | cid_22553442)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-35-21-9-7-20(8-10-21)30-17-15-29(16-18-30)13-4-12-27-24(33)19-32-25-22(5-2-11-28-25)31-14-3-6-23(31)26(32)34/h2-3,5-11,14H,4,12-13,15-19H2,1H3,(H,27,33)
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n/an/a>3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/a>3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM71610
PNG
(KSC-1-256 | KUC104502N | ML190 | cid_44665680)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H32N6O3/c1-20-10-12-29-26-25(20)32-14-3-5-23(32)27(35)33(26)19-24(34)28-11-4-13-30-15-17-31(18-16-30)21-6-8-22(36-2)9-7-21/h3,5-10,12,14H,4,11,13,15-19H2,1-2H3,(H,28,34)
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n/an/a>3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM62203
PNG
(2-(4-ketopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[4-(4...)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H31N5O3/c1-35-22-11-9-21(10-12-22)30-18-16-29(17-19-30)14-5-13-28-26(33)20-32-24-7-3-2-6-23(24)31-15-4-8-25(31)27(32)34/h2-4,6-12,15H,5,13-14,16-20H2,1H3,(H,28,33)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM71581
PNG
(KSC-5-280C | KUC104162N | N-[2-[(4-bromobenzyl)-is...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C27H32BrN3O3S/c1-20(2)31(19-23-8-12-25(28)13-9-23)17-16-29-27(32)24-10-6-22(7-11-24)18-30-35(33,34)26-14-4-21(3)5-15-26/h4-15,20,30H,16-19H2,1-3H3,(H,29,32)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM65830
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-[(p...)
Show SMILES CC(C)N(CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C28H35N3O3S/c1-22(2)31(21-25-8-5-4-6-9-25)19-7-18-29-28(32)26-14-12-24(13-15-26)20-30-35(33,34)27-16-10-23(3)11-17-27/h4-6,8-17,22,30H,7,18-21H2,1-3H3,(H,29,32)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM71581
PNG
(KSC-5-280C | KUC104162N | N-[2-[(4-bromobenzyl)-is...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C27H32BrN3O3S/c1-20(2)31(19-23-8-12-25(28)13-9-23)17-16-29-27(32)24-10-6-22(7-11-24)18-30-35(33,34)26-14-4-21(3)5-15-26/h4-15,20,30H,16-19H2,1-3H3,(H,29,32)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM75566
PNG
(KSC-11-114-1 | KUC105392N | N-[2-[benzyl(tert-buty...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-22-10-16-26(17-11-22)35(33,34)30-20-23-12-14-25(15-13-23)27(32)29-18-19-31(28(2,3)4)21-24-8-6-5-7-9-24/h5-17,30H,18-21H2,1-4H3,(H,29,32)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM54842
PNG
(MLS001123392 | SMR000627745 | cid_22553442)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-35-21-9-7-20(8-10-21)30-17-15-29(16-18-30)13-4-12-27-24(33)19-32-25-22(5-2-11-28-25)31-14-3-6-23(31)26(32)34/h2-3,5-11,14H,4,12-13,15-19H2,1H3,(H,27,33)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM71611
PNG
(KSC-1-261 | KUC104503N | cid_44665687)
Show SMILES Cc1ccnc2n(CC(=O)NCCCN3CCN(CC3)c3ccc(Cl)cc3)c(=O)c3cccn3c12
Show InChI InChI=1S/C26H29ClN6O2/c1-19-9-11-29-25-24(19)32-13-2-4-22(32)26(35)33(25)18-23(34)28-10-3-12-30-14-16-31(17-15-30)21-7-5-20(27)6-8-21/h2,4-9,11,13H,3,10,12,14-18H2,1H3,(H,28,34)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM62203
PNG
(2-(4-ketopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[4-(4...)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H31N5O3/c1-35-22-11-9-21(10-12-22)30-18-16-29(17-19-30)14-5-13-28-26(33)20-32-24-7-3-2-6-23(24)31-15-4-8-25(31)27(32)34/h2-4,6-12,15H,5,13-14,16-20H2,1H3,(H,28,33)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM71611
PNG
(KSC-1-261 | KUC104503N | cid_44665687)
Show SMILES Cc1ccnc2n(CC(=O)NCCCN3CCN(CC3)c3ccc(Cl)cc3)c(=O)c3cccn3c12
Show InChI InChI=1S/C26H29ClN6O2/c1-19-9-11-29-25-24(19)32-13-2-4-22(32)26(35)33(25)18-23(34)28-10-3-12-30-14-16-31(17-15-30)21-7-5-20(27)6-8-21/h2,4-9,11,13H,3,10,12,14-18H2,1H3,(H,28,34)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM71619
PNG
(KSC-1-278 | KUC104646N | cid_45100475)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H29BrN6O3/c1-36-21-7-5-20(6-8-21)31-14-12-30(13-15-31)10-3-9-28-24(34)18-33-25-23(16-19(27)17-29-25)32-11-2-4-22(32)26(33)35/h2,4-8,11,16-17H,3,9-10,12-15,18H2,1H3,(H,28,34)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM71613
PNG
(KSC-1-265 | KUC104505N | cid_44665679)
Show SMILES COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1
Show InChI InChI=1S/C28H34N6O4/c1-20-9-11-30-27-26(20)33-13-4-6-23(33)28(36)34(27)19-25(35)29-10-5-12-31-14-16-32(17-15-31)22-8-7-21(37-2)18-24(22)38-3/h4,6-9,11,13,18H,5,10,12,14-17,19H2,1-3H3,(H,29,35)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM71610
PNG
(KSC-1-256 | KUC104502N | ML190 | cid_44665680)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H32N6O3/c1-20-10-12-29-26-25(20)32-14-3-5-23(32)27(35)33(26)19-24(34)28-11-4-13-30-15-17-31(18-16-30)21-6-8-22(36-2)9-7-21/h3,5-10,12,14H,4,11,13,15-19H2,1-2H3,(H,28,34)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM65830
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-[(p...)
Show SMILES CC(C)N(CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C28H35N3O3S/c1-22(2)31(21-25-8-5-4-6-9-25)19-7-18-29-28(32)26-14-12-24(13-15-26)20-30-35(33,34)27-16-10-23(3)11-17-27/h4-6,8-17,22,30H,7,18-21H2,1-3H3,(H,29,32)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65830
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-[(p...)
Show SMILES CC(C)N(CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C28H35N3O3S/c1-22(2)31(21-25-8-5-4-6-9-25)19-7-18-29-28(32)26-14-12-24(13-15-26)20-30-35(33,34)27-16-10-23(3)11-17-27/h4-6,8-17,22,30H,7,18-21H2,1-3H3,(H,29,32)
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n/an/a>3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50012155
PNG
(CHEMBL3264442)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NCC1CC1 |r,THB:0:1:18:16.15.14,4:3:18:16.15.14|
Show InChI InChI=1S/C28H38N2O/c1-21-20-30(14-6-9-22-7-3-2-4-8-22)26-16-25(29-19-23-12-13-23)17-28(21,18-26)24-10-5-11-27(31)15-24/h2-5,7-8,10-11,15,21,23,25-26,29,31H,6,9,12-14,16-20H2,1H3/t21?,25-,26?,28?/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50116621
PNG
(3-[7-Amino-4-methyl-2-(3-phenyl-propyl)-2-aza-bicy...)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@H](N)CC1(C2)c1cccc(O)c1 |TLB:16:15:19:3.1.2,THB:0:1:19:14.17.15,4:3:19:14.17.15|
Show InChI InChI=1S/C24H32N2O/c1-18-17-26(12-6-9-19-7-3-2-4-8-19)22-14-21(25)15-24(18,16-22)20-10-5-11-23(27)13-20/h2-5,7-8,10-11,13,18,21-22,27H,6,9,12,14-17,25H2,1H3/t18?,21-,22?,24?/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50012155
PNG
(CHEMBL3264442)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NCC1CC1 |r,THB:0:1:18:16.15.14,4:3:18:16.15.14|
Show InChI InChI=1S/C28H38N2O/c1-21-20-30(14-6-9-22-7-3-2-4-8-22)26-16-25(29-19-23-12-13-23)17-28(21,18-26)24-10-5-11-27(31)15-24/h2-5,7-8,10-11,15,21,23,25-26,29,31H,6,9,12-14,16-20H2,1H3/t21?,25-,26?,28?/m0/s1
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n/an/an/an/a 1.30E+5n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50012155
PNG
(CHEMBL3264442)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NCC1CC1 |r,THB:0:1:18:16.15.14,4:3:18:16.15.14|
Show InChI InChI=1S/C28H38N2O/c1-21-20-30(14-6-9-22-7-3-2-4-8-22)26-16-25(29-19-23-12-13-23)17-28(21,18-26)24-10-5-11-27(31)15-24/h2-5,7-8,10-11,15,21,23,25-26,29,31H,6,9,12-14,16-20H2,1H3/t21?,25-,26?,28?/m0/s1
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50116621
PNG
(3-[7-Amino-4-methyl-2-(3-phenyl-propyl)-2-aza-bicy...)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@H](N)CC1(C2)c1cccc(O)c1 |TLB:16:15:19:3.1.2,THB:0:1:19:14.17.15,4:3:19:14.17.15|
Show InChI InChI=1S/C24H32N2O/c1-18-17-26(12-6-9-19-7-3-2-4-8-19)22-14-21(25)15-24(18,16-22)20-10-5-11-23(27)13-20/h2-5,7-8,10-11,13,18,21-22,27H,6,9,12,14-17,25H2,1H3/t18?,21-,22?,24?/m0/s1
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n/an/an/an/a 1.95E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50154200
PNG
(7-amino-6-methoxy-8,8-dimethyl-5,6,7,8-tetrahydron...)
Show SMILES CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
Show InChI InChI=1S/C13H19NO2/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12+/m0/s1
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n/an/an/an/a 234n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50116621
PNG
(3-[7-Amino-4-methyl-2-(3-phenyl-propyl)-2-aza-bicy...)
Show SMILES CC1CN(CCCc2ccccc2)C2C[C@H](N)CC1(C2)c1cccc(O)c1 |TLB:16:15:19:3.1.2,THB:0:1:19:14.17.15,4:3:19:14.17.15|
Show InChI InChI=1S/C24H32N2O/c1-18-17-26(12-6-9-19-7-3-2-4-8-19)22-14-21(25)15-24(18,16-22)20-10-5-11-23(27)13-20/h2-5,7-8,10-11,13,18,21-22,27H,6,9,12,14-17,25H2,1H3/t18?,21-,22?,24?/m0/s1
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n/an/an/an/a 7.50E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%