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14 similar compounds to monomer 50027341

Compile data set for download or QSAR
Wt: 295.4
BDBM50085923
Wt: 309.4
BDBM50085933
Wt: 411.2
BDBM50027338
Wt: 267.3
BDBM50027342
Wt: 427.6
BDBM50177682
Wt: 335.4
BDBM50199905
Wt: 335.4
BDBM50199895
Wt: 335.4
BDBM50199896
Wt: 335.4
BDBM50199897
Wt: 335.4
BDBM50199898
Wt: 335.4
BDBM50199900
Wt: 335.4
BDBM50199901
Wt: 335.4
BDBM50199902
Wt: 492.6
BDBM50027339

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 56 hits for monomerid = 50085923,50085933,50027338,50027342,50177682,50199905,50199895,50199896,50199897,50199898,50199900,50199901,50199902,50027339   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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US Patent
0.570 -12.6 0.530n/an/an/an/a7.825



Adolor Corporation

US Patent


Assay Description
The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).


US Patent US8580788 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VKK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199900
PNG
(3-((1R,2R,7S,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22-,23+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199900
PNG
(3-((1R,2R,7S,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22-,23+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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US Patent
8.90 -11.0n/an/an/an/an/a7.825



Adolor Corporation

US Patent


Assay Description
The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).


US Patent US8580788 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VKK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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9n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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9n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199897
PNG
(3-((1R,2R,7S,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22+,23+/m0/s1
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16n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199901
PNG
(3-((1R,2R,7R,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22+,23+/m0/s1
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25n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199901
PNG
(3-((1R,2R,7R,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22+,23+/m0/s1
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26n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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US Patent
30 -10.3n/an/an/an/an/a7.825



Adolor Corporation

US Patent


Assay Description
The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).


US Patent US8580788 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VKK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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31n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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31n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199901
PNG
(3-((1R,2R,7R,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22+,23+/m0/s1
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35n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199897
PNG
(3-((1R,2R,7S,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22+,23+/m0/s1
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37n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199900
PNG
(3-((1R,2R,7S,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22-,23+/m0/s1
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65n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199898
PNG
(3-((1R,2R,7R,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22-,23+/m0/s1
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73n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199898
PNG
(3-((1R,2R,7R,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22-,23+/m0/s1
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100n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199902
PNG
(3-((2R,3R,7S,9RR)-2,3-dimethyl-7-phenyl-octahydro-...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21+,23+/m0/s1
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110n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199895
PNG
(3-((2R,3R,7R,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19-,21-,23+/m0/s1
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110n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199898
PNG
(3-((1R,2R,7R,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22-,23+/m0/s1
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190n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50177682
PNG
(3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(3-pheny...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C30H37NO/c1-24-23-31(20-19-26-13-7-4-8-14-26)28(17-9-15-25-11-5-3-6-12-25)22-30(24,2)27-16-10-18-29(32)21-27/h3-8,10-14,16,18,21,24,28,32H,9,15,17,19-20,22-23H2,1-2H3/t24-,28+,30+/m0/s1
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230n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of loperamide-stimulated [35S]GTP-gamma-S binding to membranes containing mu opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50177682
PNG
(3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(3-pheny...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C30H37NO/c1-24-23-31(20-19-26-13-7-4-8-14-26)28(17-9-15-25-11-5-3-6-12-25)22-30(24,2)27-16-10-18-29(32)21-27/h3-8,10-14,16,18,21,24,28,32H,9,15,17,19-20,22-23H2,1-2H3/t24-,28+,30+/m0/s1
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260n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199897
PNG
(3-((1R,2R,7S,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22+,23+/m0/s1
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280n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50177682
PNG
(3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(3-pheny...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C30H37NO/c1-24-23-31(20-19-26-13-7-4-8-14-26)28(17-9-15-25-11-5-3-6-12-25)22-30(24,2)27-16-10-18-29(32)21-27/h3-8,10-14,16,18,21,24,28,32H,9,15,17,19-20,22-23H2,1-2H3/t24-,28+,30+/m0/s1
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320n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199902
PNG
(3-((2R,3R,7S,9RR)-2,3-dimethyl-7-phenyl-octahydro-...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21+,23+/m0/s1
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430n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199905
PNG
(3-((2R,3R,7R,9-alpha-R)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@H](CC[C@@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19-,21+,23+/m0/s1
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430n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199895
PNG
(3-((2R,3R,7R,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19-,21-,23+/m0/s1
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440n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199902
PNG
(3-((2R,3R,7S,9RR)-2,3-dimethyl-7-phenyl-octahydro-...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21+,23+/m0/s1
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900n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199905
PNG
(3-((2R,3R,7R,9-alpha-R)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@H](CC[C@@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19-,21+,23+/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199895
PNG
(3-((2R,3R,7R,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19-,21-,23+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTPgammaS ...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50177682
PNG
(3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(3-pheny...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C30H37NO/c1-24-23-31(20-19-26-13-7-4-8-14-26)28(17-9-15-25-11-5-3-6-12-25)22-30(24,2)27-16-10-18-29(32)21-27/h3-8,10-14,16,18,21,24,28,32H,9,15,17,19-20,22-23H2,1-2H3/t24-,28+,30+/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of loperamide-stimulated [35S]GTPgammaS binding to membranes containing mu opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199902
PNG
(3-((2R,3R,7S,9RR)-2,3-dimethyl-7-phenyl-octahydro-...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21+,23+/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199900
PNG
(3-((1R,2R,7S,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22-,23+/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of loperamide-stimulated [35S]GTPgammaS binding to human mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50085933
PNG
(4-[1-(5-Phenyl-pentyl)-pyrrolidin-3-yl]-phenol | C...)
Show SMILES Oc1ccc(cc1)C1CCN(CCCCCc2ccccc2)C1
Show InChI InChI=1S/C21H27NO/c23-21-12-10-19(11-13-21)20-14-16-22(17-20)15-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-13,20,23H,2,5-6,9,14-17H2
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n/an/a 4.10E+4n/an/an/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2A) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50085933
PNG
(4-[1-(5-Phenyl-pentyl)-pyrrolidin-3-yl]-phenol | C...)
Show SMILES Oc1ccc(cc1)C1CCN(CCCCCc2ccccc2)C1
Show InChI InChI=1S/C21H27NO/c23-21-12-10-19(11-13-21)20-14-16-22(17-20)15-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-13,20,23H,2,5-6,9,14-17H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2C) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50085933
PNG
(4-[1-(5-Phenyl-pentyl)-pyrrolidin-3-yl]-phenol | C...)
Show SMILES Oc1ccc(cc1)C1CCN(CCCCCc2ccccc2)C1
Show InChI InChI=1S/C21H27NO/c23-21-12-10-19(11-13-21)20-14-16-22(17-20)15-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-13,20,23H,2,5-6,9,14-17H2
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n/an/a 17n/an/an/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50085923
PNG
(4-[1-(4-Phenyl-butyl)-pyrrolidin-3-yl]-phenol | CH...)
Show SMILES Oc1ccc(cc1)C1CCN(CCCCc2ccccc2)C1
Show InChI InChI=1S/C20H25NO/c22-20-11-9-18(10-12-20)19-13-15-21(16-19)14-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-12,19,22H,4-5,8,13-16H2
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n/an/a 130n/an/an/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50085923
PNG
(4-[1-(4-Phenyl-butyl)-pyrrolidin-3-yl]-phenol | CH...)
Show SMILES Oc1ccc(cc1)C1CCN(CCCCc2ccccc2)C1
Show InChI InChI=1S/C20H25NO/c22-20-11-9-18(10-12-20)19-13-15-21(16-19)14-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-12,19,22H,4-5,8,13-16H2
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n/an/a 5.20E+4n/an/an/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2A) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50085923
PNG
(4-[1-(4-Phenyl-butyl)-pyrrolidin-3-yl]-phenol | CH...)
Show SMILES Oc1ccc(cc1)C1CCN(CCCCc2ccccc2)C1
Show InChI InChI=1S/C20H25NO/c22-20-11-9-18(10-12-20)19-13-15-21(16-19)14-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-12,19,22H,4-5,8,13-16H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



CoCensys Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2C) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50027339
PNG
(CHEMBL3338388)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(CC(C)=C2)NC1OCC2=C3CC(C)(C)C[C@H]3[C@@H](C)[C@H](O)CC12O
Show InChI InChI=1S/C30H40N2O4/c1-6-21-18-9-16(2)11-29(21,22-7-8-26(34)31-24(22)10-18)32-27-30(35)14-25(33)17(3)19-12-28(4,5)13-20(19)23(30)15-36-27/h6-9,17-19,25,27,32-33,35H,10-15H2,1-5H3,(H,31,34)/b21-6+/t17-,18+,19+,25-,27?,29-,30?/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as inhibition of acetylcholine hydrolysis after 30 mins by Ellmann's method


J Nat Prod 77: 2054-9 (2014)


Article DOI: 10.1021/np500412f
BindingDB Entry DOI: 10.7270/Q2BC4147
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199897
PNG
(3-((1R,2R,7S,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22+,23+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of BW373U86-stimulated [35S]GTP-gamma-S binding to human delta opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50027342
PNG
(CHEMBL483105)
Show SMILES CCOP(C)(=O)SCCN(C(C)C)C(C)C
Show InChI InChI=1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3
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n/an/an/an/an/an/a 1.10E+5n/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50027342
PNG
(CHEMBL483105)
Show SMILES CCOP(C)(=O)SCCN(C(C)C)C(C)C
Show InChI InChI=1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3
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n/an/an/an/an/an/a 2.00E+6n/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of human AChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
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