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143 similar compounds to monomer 50035131

Compile data set for download or QSAR
Wt: 371.9
BDBM50455603
Wt: 271.3
BDBM50455604
Wt: 371.9
BDBM50001052
Wt: 287.4
BDBM50001045
Wt: 231.3
BDBM50001041
Wt: 363.5
BDBM50001050
Wt: 349.5
BDBM50001046
Wt: 269.3
BDBM50001026
Wt: 287.4
BDBM50001027
Wt: 291.8
BDBM50001036
Wt: 271.3
BDBM50001025
Wt: 269.3
BDBM50001034
Wt: 285.4
BDBM50001033
Purchase
Wt: 231.3
BDBM50001038
Wt: 363.5
BDBM50001032
Displayed 1 to 15 (of 143 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50455603,50455604,50001052,50001045,50001041,50001050,50001046,50001026,50001027,50001036,50001025,50001034,50001033,50001038,50001032   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001036
PNG
(3-(3-Chloro-allyl)-6,11-dimethyl-1,2,3,4,5,6-hexah...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C\C=C\Cl
Show InChI InChI=1S/C17H22ClNO/c1-12-16-10-13-4-5-14(20)11-15(13)17(12,2)6-9-19(16)8-3-7-18/h3-5,7,11-12,16,20H,6,8-10H2,1-2H3/b7-3+/t12-,16+,17-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 203-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001046
PNG
(6,11-Dimethyl-3-(4-phenyl-butyl)-1,2,3,4,5,6-hexah...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCc1ccccc1
Show InChI InChI=1S/C24H31NO/c1-18-23-16-20-11-12-21(26)17-22(20)24(18,2)13-15-25(23)14-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,11-12,17-18,23,26H,6-7,10,13-16H2,1-2H3/t18-,23+,24-/m0/s1
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4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001027
PNG
(3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano...)
Show SMILES CC(C)CCN1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21
Show InChI InChI=1S/C19H29NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-6,12-14,18,21H,7-11H2,1-4H3/t14-,18+,19-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001026
PNG
(3-But-2-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES CC#CCN1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21
Show InChI InChI=1S/C18H23NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h6-7,12-13,17,20H,8-11H2,1-3H3/t13-,17+,18-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 203-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001038
PNG
(6,11-Dimethyl-3-(3-methyl-butyl)-1,2,3,4,5,6-hexah...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C
Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14+,15-/m0/s1
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11n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001025
PNG
(3-But-2-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES C\C=C/CN1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h4-7,12-13,17,20H,8-11H2,1-3H3/b5-4-/t13-,17+,18-/m0/s1
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11n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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13n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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16n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001052
PNG
(6,11-Dimethyl-3-(3-phenyl-propyl)-1,2,3,4,5,6-hexa...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCc1ccccc1
Show InChI InChI=1S/C23H29NO.ClH/c1-17-22-15-19-10-11-20(25)16-21(19)23(17,2)12-14-24(22)13-6-9-18-7-4-3-5-8-18;/h3-5,7-8,10-11,16-17,22,25H,6,9,12-15H2,1-2H3;1H/t17-,22+,23-;/m0./s1
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20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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49n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human delta opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001050
PNG
(6,11-Dimethyl-3-(5-phenyl-pentyl)-1,2,3,4,5,6-hexa...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCc1ccccc1
Show InChI InChI=1S/C25H33NO/c1-19-24-17-21-12-13-22(27)18-23(21)25(19,2)14-16-26(24)15-8-4-7-11-20-9-5-3-6-10-20/h3,5-6,9-10,12-13,18-19,24,27H,4,7-8,11,14-17H2,1-2H3/t19-,24+,25-/m0/s1
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68n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50001033
PNG
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)
Show SMILES C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1
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180n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 203-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001032
PNG
(6,11-Dimethyl-3-(5-phenyl-pentyl)-1,2,3,4,5,6-hexa...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCCCCc1ccccc1
Show InChI InChI=1S/C25H33NO/c1-19-24-17-21-12-13-22(27)18-23(21)25(19,2)14-16-26(24)15-8-4-7-11-20-9-5-3-6-10-20/h3,5-6,9-10,12-13,18-19,24,27H,4,7-8,11,14-17H2,1-2H3/t19-,24+,25-/m1/s1
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260n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50455603
PNG
(CHEMBL2368631)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCCc1ccccc1
Show InChI InChI=1S/C23H29NO.ClH/c1-17-22-15-19-10-11-20(25)16-21(19)23(17,2)12-14-24(22)13-6-9-18-7-4-3-5-8-18;/h3-5,7-8,10-11,16-17,22,25H,6,9,12-15H2,1-2H3;1H/t17-,22+,23-;/m1./s1
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343n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001034
PNG
(3-But-2-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES CC#CCN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21
Show InChI InChI=1S/C18H23NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h6-7,12-13,17,20H,8-11H2,1-3H3/t13-,17+,18-/m1/s1
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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50455604
PNG
(CHEMBL2367808)
Show SMILES C\C=C/CN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21
Show InChI InChI=1S/C18H25NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h4-7,12-13,17,20H,8-11H2,1-3H3/b5-4-/t13-,17+,18-/m1/s1
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1.69E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001045
PNG
(6,11-Dimethyl-3-(3-phenyl-propyl)-1,2,3,4,5,6-hexa...)
Show SMILES CC(C)CCN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21
Show InChI InChI=1S/C19H29NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-6,12-14,18,21H,7-11H2,1-4H3/t14-,18+,19-/m1/s1
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3.50E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001041
PNG
(3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C
Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14+,15-/m1/s1
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4.97E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


Article DOI: 10.1021/jm00093a014
BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair