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Compile Data Set for Download or QSAR

Found 579 hits with Last Name = 'chu' and Initial = 'gh'   
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
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.0800n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cells


J Med Chem 40: 4195-8 (1998)


Article DOI: 10.1021/jm970437q
BindingDB Entry DOI: 10.7270/Q2930S90
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035202
PNG
(CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
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0.0990n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cells


J Med Chem 40: 4195-8 (1998)


Article DOI: 10.1021/jm970437q
BindingDB Entry DOI: 10.7270/Q2930S90
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035202
PNG
(CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
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0.0990n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176375
PNG
(2-(3,4-dichlorophenylamino)-N-((S)-2-((S)-3-hydrox...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O2/c1-25(21(28)12-24-16-7-8-18(22)19(23)11-16)20(15-5-3-2-4-6-15)14-26-10-9-17(27)13-26/h2-8,11,17,20,24,27H,9-10,12-14H2,1H3/t17-,20+/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.120n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B expressed in CHO cells


J Med Chem 40: 4195-8 (1998)


Article DOI: 10.1021/jm970437q
BindingDB Entry DOI: 10.7270/Q2930S90
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human Melatonin receptor type 1A by displacement of [125I]-iodomelatonin stably expressed in CHO cells


Bioorg Med Chem Lett 7: 2177-2180 (1997)


Article DOI: 10.1016/S0960-894X(97)00392-2
BindingDB Entry DOI: 10.7270/Q208659R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176369
PNG
(CHEMBL201884 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1
Show InChI InChI=1S/C21H27N3O2/c1-23(21(26)14-22-18-10-6-3-7-11-18)20(17-8-4-2-5-9-17)16-24-13-12-19(25)15-24/h2-11,19-20,22,25H,12-16H2,1H3/t19-,20+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176370
PNG
(CHEMBL201572 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H26N4O4/c1-23(21(27)13-22-17-7-9-18(10-8-17)25(28)29)20(16-5-3-2-4-6-16)15-24-12-11-19(26)14-24/h2-10,19-20,22,26H,11-15H2,1H3/t19-,20+/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cells


Bioorg Med Chem Lett 7: 2177-2180 (1997)


Article DOI: 10.1016/S0960-894X(97)00392-2
BindingDB Entry DOI: 10.7270/Q208659R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50205684
PNG
(CHEMBL230288 | N1-((S)-2-((S)-3-hydroxypyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1ccccc1
Show InChI InChI=1S/C22H27N3O3/c1-24(22(28)14-21(27)23-18-10-6-3-7-11-18)20(17-8-4-2-5-9-17)16-25-13-12-19(26)15-25/h2-11,19-20,26H,12-16H2,1H3,(H,23,27)/t19-,20+/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 1951-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.053
BindingDB Entry DOI: 10.7270/Q2Q52P9X
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.290n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176374
PNG
(CHEMBL382932 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)
Show SMILES CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H29N3O2/c1-23(19-11-7-4-8-12-19)17-22(27)24(2)21(18-9-5-3-6-10-18)16-25-14-13-20(26)15-25/h3-12,20-21,26H,13-17H2,1-2H3/t20-,21+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50039026
PNG
(4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035202
PNG
(CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
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0.380n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B expressed in CHO cells


J Med Chem 40: 4195-8 (1998)


Article DOI: 10.1021/jm970437q
BindingDB Entry DOI: 10.7270/Q2930S90
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035202
PNG
(CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
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0.380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50290238
PNG
(CHEMBL80736 | N-[2-(2-Ethoxy-7-methoxy-naphthalen-...)
Show SMILES CCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC
Show InChI InChI=1S/C18H23NO3/c1-4-18(20)19-11-10-15-16-12-14(21-3)8-6-13(16)7-9-17(15)22-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20)
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0.390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176365
PNG
(CHEMBL201905 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N3O2/c1-27(21(30)13-26-18-9-7-17(8-10-18)22(23,24)25)20(16-5-3-2-4-6-16)15-28-12-11-19(29)14-28/h2-10,19-20,26,29H,11-15H2,1H3/t19-,20+/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176373
PNG
(2-(2-cyanophenylamino)-N-((S)-2-((S)-3-hydroxypyrr...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1C#N
Show InChI InChI=1S/C22H26N4O2/c1-25(22(28)14-24-20-10-6-5-9-18(20)13-23)21(17-7-3-2-4-8-17)16-26-12-11-19(27)15-26/h2-10,19,21,24,27H,11-12,14-16H2,1H3/t19-,21+/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50290000
PNG
(CHEMBL68864 | N-[2-(6-Methoxy-quinolin-4-yl)-ethyl...)
Show SMILES CCCC(=O)NCCc1ccnc2ccc(OC)cc12
Show InChI InChI=1S/C16H20N2O2/c1-3-4-16(19)18-10-8-12-7-9-17-15-6-5-13(20-2)11-14(12)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)
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0.410n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cells


Bioorg Med Chem Lett 7: 2177-2180 (1997)


Article DOI: 10.1016/S0960-894X(97)00392-2
BindingDB Entry DOI: 10.7270/Q208659R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50252953
PNG
(CHEMBL494479 | N,N-Diethyl-4-(6-hydroxyspiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccc(O)cc12 |t:14|
Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-7-5-17(6-8-18)21-16-24(11-13-25-14-12-24)29-22-10-9-19(27)15-20(21)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
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0.430n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176367
PNG
(2-(3-cyanophenylamino)-N-((S)-2-((S)-3-hydroxypyrr...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1cccc(c1)C#N
Show InChI InChI=1S/C22H26N4O2/c1-25(22(28)14-24-19-9-5-6-17(12-19)13-23)21(18-7-3-2-4-8-18)16-26-11-10-20(27)15-26/h2-9,12,20-21,24,27H,10-11,14-16H2,1H3/t20-,21+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297321
PNG
(CHEMBL551613 | Isoindolin-2-yl(4-(spiro[chromene-2...)
Show SMILES O=C(N1Cc2ccccc2C1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:20|
Show InChI InChI=1S/C28H26N2O2/c31-27(30-18-22-5-1-2-6-23(22)19-30)21-11-9-20(10-12-21)25-17-28(13-15-29-16-14-28)32-26-8-4-3-7-24(25)26/h1-12,17,29H,13-16,18-19H2
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0.530n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50205686
PNG
(CHEMBL230607 | N1-((S)-2-((S)-3-hydroxypyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1nccs1
Show InChI InChI=1S/C19H24N4O3S/c1-22(18(26)11-17(25)21-19-20-8-10-27-19)16(14-5-3-2-4-6-14)13-23-9-7-15(24)12-23/h2-6,8,10,15-16,24H,7,9,11-13H2,1H3,(H,20,21,25)/t15-,16+/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 1951-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.053
BindingDB Entry DOI: 10.7270/Q2Q52P9X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176376
PNG
(2-(4-cyanophenylamino)-N-((S)-2-((S)-3-hydroxypyrr...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)C#N
Show InChI InChI=1S/C22H26N4O2/c1-25(22(28)14-24-19-9-7-17(13-23)8-10-19)21(18-5-3-2-4-6-18)16-26-12-11-20(27)15-26/h2-10,20-21,24,27H,11-12,14-16H2,1H3/t20-,21+/m0/s1
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0.660n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297339
PNG
(CHEMBL557458 | N,N-Diethyl-2-hydroxy-4-(spiro[chro...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)19-10-9-17(15-21(19)27)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
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0.690n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176372
PNG
(CHEMBL201283 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1CNS(C)(=O)=O
Show InChI InChI=1S/C23H32N4O4S/c1-26(22(18-8-4-3-5-9-18)17-27-13-12-20(28)16-27)23(29)15-24-21-11-7-6-10-19(21)14-25-32(2,30)31/h3-11,20,22,24-25,28H,12-17H2,1-2H3/t20-,22+/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50174961
PNG
((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1Cc2ccccc2O1
Show InChI InChI=1S/C22H26N2O3/c1-23(22(26)21-13-17-9-5-6-10-20(17)27-21)19(16-7-3-2-4-8-16)15-24-12-11-18(25)14-24/h2-10,18-19,21,25H,11-15H2,1H3/t18-,19+,21+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50252954
PNG
(ADL-5859 | CHEMBL494480 | N,N-diethyl-4-(5-hydroxy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cccc(O)c12 |t:14|
Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3
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0.840n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297329
PNG
((R)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12 |r|
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m1/s1
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0.930n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50290003
PNG
(CHEMBL306468 | N-[2-(6-Methoxy-quinolin-4-yl)-ethy...)
Show SMILES CCC(=O)NCCc1ccnc2ccc(OC)cc12
Show InChI InChI=1S/C15H18N2O2/c1-3-15(18)17-9-7-11-6-8-16-14-5-4-12(19-2)10-13(11)14/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,18)
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0.960n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cells


Bioorg Med Chem Lett 7: 2177-2180 (1997)


Article DOI: 10.1016/S0960-894X(97)00392-2
BindingDB Entry DOI: 10.7270/Q208659R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176362
PNG
(2-((4-cyanophenyl)(methyl)amino)-N-((S)-2-((S)-3-h...)
Show SMILES CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H28N4O2/c1-25(20-10-8-18(14-24)9-11-20)17-23(29)26(2)22(19-6-4-3-5-7-19)16-27-13-12-21(28)15-27/h3-11,21-22,28H,12-13,15-17H2,1-2H3/t21-,22+/m0/s1
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1n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50304919
PNG
(CHEMBL595268 | N-(3,4-dimethyl-5-(morpholinosulfon...)
Show SMILES CCCCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H32N2O4S/c1-6-7-8-20(4,5)19(23)21-17-13-15(2)16(3)18(14-17)27(24,25)22-9-11-26-12-10-22/h13-14H,6-12H2,1-5H3,(H,21,23)
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1.10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297316
PNG
(CHEMBL561882 | N,N-Diisopropyl-4-(spiro[chromene-2...)
Show SMILES CC(C)N(C(C)C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
Show InChI InChI=1S/C26H32N2O2/c1-18(2)28(19(3)4)25(29)21-11-9-20(10-12-21)23-17-26(13-15-27-16-14-26)30-24-8-6-5-7-22(23)24/h5-12,17-19,27H,13-16H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50290238
PNG
(CHEMBL80736 | N-[2-(2-Ethoxy-7-methoxy-naphthalen-...)
Show SMILES CCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC
Show InChI InChI=1S/C18H23NO3/c1-4-18(20)19-11-10-15-16-12-14(21-3)8-6-13(16)7-9-17(15)22-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20)
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50174963
PNG
((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2cc(NS(C)(=O)=O)ccc2O1
Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-6-4-3-5-7-16)15-26-11-10-19(27)14-26)23(28)22-13-17-12-18(24-32(2,29)30)8-9-21(17)31-22/h3-9,12,19-20,22,24,27H,10-11,13-15H2,1-2H3/t19-,20+,22-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50290234
PNG
(CHEMBL440692 | N-[2-(2-Hydroxy-7-methoxy-naphthale...)
Show SMILES CCC(=O)NCCc1c(O)ccc2ccc(OC)cc12
Show InChI InChI=1S/C16H19NO3/c1-3-16(19)17-9-8-13-14-10-12(20-2)6-4-11(14)5-7-15(13)18/h4-7,10,18H,3,8-9H2,1-2H3,(H,17,19)
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297338
PNG
(CHEMBL562873 | N,N-Diethyl-2-fluoro-4-(spiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1F)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H27FN2O2/c1-3-27(4-2)23(28)19-10-9-17(15-21(19)25)20-16-24(11-13-26-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,26H,3-4,11-14H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50174957
PNG
((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2cccc(NS(C)(=O)=O)c2O1
Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-7-4-3-5-8-16)15-26-12-11-18(27)14-26)23(28)21-13-17-9-6-10-19(22(17)31-21)24-32(2,29)30/h3-10,18,20-21,24,27H,11-15H2,1-2H3/t18-,20+,21-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50061570
PNG
(Bromo-acetic acid 7-methoxy-1-(2-propionylamino-et...)
Show SMILES CCC(=O)NCCc1c(OC(=O)CBr)ccc2ccc(OC)cc12
Show InChI InChI=1S/C18H20BrNO4/c1-3-17(21)20-9-8-14-15-10-13(23-2)6-4-12(15)5-7-16(14)24-18(22)11-19/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21)
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1.30n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cells


J Med Chem 40: 4195-8 (1998)


Article DOI: 10.1021/jm970437q
BindingDB Entry DOI: 10.7270/Q2930S90
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50174967
PNG
((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1Cc2cc(NS(C)(=O)=O)ccc2O1
Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-6-4-3-5-7-16)15-26-11-10-19(27)14-26)23(28)22-13-17-12-18(24-32(2,29)30)8-9-21(17)31-22/h3-9,12,19-20,22,24,27H,10-11,13-15H2,1-2H3/t19-,20+,22+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50290239
PNG
(CHEMBL78751 | N-{2-[2-(2-Hydroxy-ethoxy)-7-methoxy...)
Show SMILES CCC(=O)NCCc1c(OCCO)ccc2ccc(OC)cc12
Show InChI InChI=1S/C18H23NO4/c1-3-18(21)19-9-8-15-16-12-14(22-2)6-4-13(16)5-7-17(15)23-11-10-20/h4-7,12,20H,3,8-11H2,1-2H3,(H,19,21)
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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50205677
PNG
(CHEMBL425836 | N1-((S)-2-((S)-3-hydroxypyrrolidin-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1cccnc1
Show InChI InChI=1S/C21H26N4O3/c1-24(21(28)12-20(27)23-17-8-5-10-22-13-17)19(16-6-3-2-4-7-16)15-25-11-9-18(26)14-25/h2-8,10,13,18-19,26H,9,11-12,14-15H2,1H3,(H,23,27)/t18-,19+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 1951-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.053
BindingDB Entry DOI: 10.7270/Q2Q52P9X
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50290002
PNG
(CHEMBL69521 | N-[2-(6-Methoxy-quinolin-4-yl)-ethyl...)
Show SMILES COc1ccc2nccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-7-5-11-6-8-16-14-4-3-12(18-2)9-13(11)14/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17)
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cells


Bioorg Med Chem Lett 7: 2177-2180 (1997)


Article DOI: 10.1016/S0960-894X(97)00392-2
BindingDB Entry DOI: 10.7270/Q208659R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50252952
PNG
(CHEMBL495094 | N,N-Diethyl-4-(7-hydroxyspiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cc(O)ccc12 |t:14|
Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-7-5-17(6-8-18)21-16-24(11-13-25-14-12-24)29-22-15-19(27)9-10-20(21)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells


J Med Chem 51: 5893-6 (2008)


Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176371
PNG
(CHEMBL202267 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)
Show SMILES CCCS(=O)(=O)Nc1ccc(NCC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
Show InChI InChI=1S/C24H34N4O4S/c1-3-15-33(31,32)26-21-11-9-20(10-12-21)25-16-24(30)27(2)23(19-7-5-4-6-8-19)18-28-14-13-22(29)17-28/h4-12,22-23,25-26,29H,3,13-18H2,1-2H3/t22-,23+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 16: 645-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297331
PNG
(CHEMBL550472 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)
Show SMILES CCN(CC)C(=O)c1ccc(s1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Show InChI InChI=1S/C22H26N2O2S/c1-3-24(4-2)21(25)20-10-9-19(27-20)17-15-22(11-13-23-14-12-22)26-18-8-6-5-7-16(17)18/h5-10,15,23H,3-4,11-14H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50174964
PNG
((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Show SMILES CCCS(=O)(=O)Nc1ccc2O[C@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Show InChI InChI=1S/C26H35N3O5S/c1-3-15-35(32,33)27-21-10-12-24-20(16-21)9-11-25(34-24)26(31)28(2)23(19-7-5-4-6-8-19)18-29-14-13-22(30)17-29/h4-8,10,12,16,22-23,25,27,30H,3,9,11,13-15,17-18H2,1-2H3/t22-,23+,25+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50061569
PNG
(CHEMBL131919 | Chloro-acetic acid 7-methoxy-1-(2-p...)
Show SMILES CCC(=O)NCCc1c(OC(=O)CCl)ccc2ccc(OC)cc12
Show InChI InChI=1S/C18H20ClNO4/c1-3-17(21)20-9-8-14-15-10-13(23-2)6-4-12(15)5-7-16(14)24-18(22)11-19/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,21)
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1.60n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B expressed in CHO cells


J Med Chem 40: 4195-8 (1998)


Article DOI: 10.1021/jm970437q
BindingDB Entry DOI: 10.7270/Q2930S90
More data for this
Ligand-Target Pair
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