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Compile Data Set for Download or QSAR

Found 297 hits with Last Name = 'may' and Initial = 'el'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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0.180n/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)


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


(Homo sapiens (Human))
BDBM50217952
PNG
((1R,5R,9S)-(-)-9-hydroxy-5-(3-hydroxyphenyl-2-phen...)
Show SMILES O[C@@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
Show InChI InChI=1S/C22H27NO2/c24-19-9-4-8-18(16-19)22-12-5-10-20(21(22)25)23(15-13-22)14-11-17-6-2-1-3-7-17/h1-4,6-9,16,20-21,24-25H,5,10-15H2/t20-,21-,22-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


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


J Med Chem 50: 3765-76 (2007)


Article DOI: 10.1021/jm061325e
BindingDB Entry DOI: 10.7270/Q2D21XB2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50217956
PNG
((1R,5S)-(+)-5-(3-hydroxyphenyl)-9-methylene-2-phen...)
Show SMILES Oc1cccc(c1)[C@]12CCC[C@@H](N(CCc3ccccc3)CC1)C2=C |TLB:24:23:8.9.10:12.21.22|
Show InChI InChI=1S/C23H27NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17,22,25H,1,6,11-16H2/t22-,23-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


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


J Med Chem 50: 3765-76 (2007)


Article DOI: 10.1021/jm061325e
BindingDB Entry DOI: 10.7270/Q2D21XB2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001019
PNG
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22-/m0/s1
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0.200n/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)


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


(Mus musculus (Mouse))
BDBM50041240
PNG
((6S,11R)-3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16?,17-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095694
PNG
(3-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C17H22N2O/c1-12-16-10-13-4-5-14(20)11-15(13)17(12,2)6-9-19(16)8-3-7-18/h4-5,11-12,16,20H,3,6,8-10H2,1-2H3/t12-,16?,17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095706
PNG
(4-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C18H24N2O/c1-13-17-11-14-5-6-15(21)12-16(14)18(13,2)7-10-20(17)9-4-3-8-19/h5-6,12-13,17,21H,3-4,7,9-11H2,1-2H3/t13-,17?,18-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50037492
PNG
(CHEMBL113995 | [(S)-2-(2-{(S)-2-[(S)-2-Amino-3-(4-...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H31N5O7/c1-15(29-24(36)19(26)11-17-7-9-18(31)10-8-17)23(35)27-13-21(32)30-20(25(37)28-14-22(33)34)12-16-5-3-2-4-6-16/h2-10,15,19-20,31H,11-14,26H2,1H3,(H,27,35)(H,28,37)(H,29,36)(H,30,32)(H,33,34)/t15-,19-,20-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor by displacing radioligand [3H]DAMGO


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50095705
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)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
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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0.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor mu 1 using [3H]-DAMGO at the Kd concentration 0.57 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50217950
PNG
((1R,5S,9R)-(+)-5-(3-hydroxyphenyl)-9-methyl-2-phen...)
Show SMILES C[C@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22+,23-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


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


J Med Chem 50: 3765-76 (2007)


Article DOI: 10.1021/jm061325e
BindingDB Entry DOI: 10.7270/Q2D21XB2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50217956
PNG
((1R,5S)-(+)-5-(3-hydroxyphenyl)-9-methylene-2-phen...)
Show SMILES Oc1cccc(c1)[C@]12CCC[C@@H](N(CCc3ccccc3)CC1)C2=C |TLB:24:23:8.9.10:12.21.22|
Show InChI InChI=1S/C23H27NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17,22,25H,1,6,11-16H2/t22-,23-/m1/s1
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0.650n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


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


J Med Chem 50: 3765-76 (2007)


Article DOI: 10.1021/jm061325e
BindingDB Entry DOI: 10.7270/Q2D21XB2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50041240
PNG
((6S,11R)-3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16?,17-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor mu 1 using [3H]-DAMGO at the Kd concentration 0.57 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095699
PNG
(3-Hex-5-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C20H29NO/c1-4-5-6-7-11-21-12-10-20(3)15(2)19(21)13-16-8-9-17(22)14-18(16)20/h4,8-9,14-15,19,22H,1,5-7,10-13H2,2-3H3/t15?,19?,20-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 1 using [(+)-[3H]pentazocaine at the Kd concentration 2nM .


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor by displacing radioligand [3HlU69,593


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095703
PNG
(3-But-3-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
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/h4,6-7,12-13,17,20H,1,5,8-11H2,2-3H3/t13-,17?,18-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095707
PNG
(3-But-3-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
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/h1,6-7,12-13,17,20H,5,8-11H2,2-3H3/t13-,17?,18-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50037478
PNG
((6S,11R)-6,11-Dimethyl-3-propyl-1,2,3,4,5,6-hexahy...)
Show SMILES CCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4|
Show InChI InChI=1S/C17H25NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h5-6,11-12,16,19H,4,7-10H2,1-3H3/t12-,16?,17-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against mu receptor from displacement studies using 0.5 nM [3H]-DAMGO in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
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 [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1C\C=C\Cl)[C@H]2C |THB:8:9:19:14.12.13,15:14:19:9.3.2|
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)


BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50037489
PNG
((6S,11S)-3-Heptyl-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
Show InChI InChI=1S/C21H33NO/c1-4-5-6-7-8-12-22-13-11-21(3)16(2)20(22)14-17-9-10-18(23)15-19(17)21/h9-10,15-16,20,23H,4-8,11-14H2,1-3H3/t16-,20?,21+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against sigma receptor using displacement of 3 nM [3H]pentazocine in homogenate of guinea pig brain cerebellum


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50037478
PNG
((6S,11R)-6,11-Dimethyl-3-propyl-1,2,3,4,5,6-hexahy...)
Show SMILES CCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4|
Show InChI InChI=1S/C17H25NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h5-6,11-12,16,19H,4,7-10H2,1-3H3/t12-,16?,17-/m0/s1
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against kappa receptor from displacement studies using 1.5 nM [3H]U-69593 in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50367061
PNG
(NALORPHINE | NALORPHINE HYDROCHLORIDE)
Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17|
Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound administered subcutaneously was evaluated for inhibition constant measured as the displacement of [3H]DAGO from rat brain


J Med Chem 30: 947-50 (1987)


BindingDB Entry DOI: 10.7270/Q2TD9XXW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50095703
PNG
(3-But-3-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
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/h4,6-7,12-13,17,20H,1,5,8-11H2,2-3H3/t13-,17?,18-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor mu 1 using [3H]-DAMGO at the Kd concentration 0.57 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095711
PNG
(6,11-Dimethyl-3-pent-4-enyl-1,2,3,4,5,6-hexahydro-...)
Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C19H27NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h4,7-8,13-14,18,21H,1,5-6,9-12H2,2-3H3/t14?,18?,19-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 1 using [(+)-[3H]pentazocaine at the Kd concentration 2nM .


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50037476
PNG
((6R,11S)-3-Hexyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:5:6:11:21.15.14,THB:20:21:11:6.8.7|
Show InChI InChI=1S/C20H31NO/c1-4-5-6-7-11-21-12-10-20(3)15(2)19(21)13-16-8-9-17(22)14-18(16)20/h8-9,14-15,19,22H,4-7,10-13H2,1-3H3/t15-,19?,20-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against sigma receptor using displacement of 3 nM [3H]pentazocine in homogenate of guinea pig brain cerebellum


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50037484
PNG
((6S,11S)-6,11-Dimethyl-3-octyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9|
Show InChI InChI=1S/C22H35NO/c1-4-5-6-7-8-9-13-23-14-12-22(3)17(2)21(23)15-18-10-11-19(24)16-20(18)22/h10-11,16-17,21,24H,4-9,12-15H2,1-3H3/t17-,21?,22+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against sigma receptor using displacement of 3 nM [3H]pentazocine in homogenate of guinea pig brain cerebellum


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001039
PNG
(6,11-Dimethyl-3-(1-methyl-allyl)-1,2,3,4,5,6-hexah...)
Show SMILES [H][C@](C)(C=C)N1CC[C@@]2(C)[C@@H](C)[C@@]1([H])Cc1ccc(O)cc21 |TLB:1:5:10:21.14.15,THB:20:21:10:5.7.6|
Show InChI InChI=1S/C18H25NO/c1-5-12(2)19-9-8-18(4)13(3)17(19)10-14-6-7-15(20)11-16(14)18/h5-7,11-13,17,20H,1,8-10H2,2-4H3/t12-,13-,17+,18-/m0/s1
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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)


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


(MOUSE)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor by displacing radioligand [3H]DPDPE


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50067447
PNG
(3-((R)-9-Methyl-2-phenethyl-2-aza-bicyclo[3.3.1]no...)
Show SMILES C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22?,23?/m0/s1
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3.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


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


J Med Chem 50: 3765-76 (2007)


Article DOI: 10.1021/jm061325e
BindingDB Entry DOI: 10.7270/Q2D21XB2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50037482
PNG
((6S,11R)-3-Butyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
Show InChI InChI=1S/C18H27NO/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,4-5,8-11H2,1-3H3/t13-,17?,18-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against mu receptor from displacement studies using 0.5 nM [3H]-DAMGO in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
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3.60n/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)


BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50037480
PNG
((6R,11S)-6,11-Dimethyl-3-pentyl-1,2,3,4,5,6-hexahy...)
Show SMILES CCCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6|
Show InChI InChI=1S/C19H29NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h7-8,13-14,18,21H,4-6,9-12H2,1-3H3/t14-,18?,19-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against sigma receptor using displacement of 3 nM [3H]pentazocine in homogenate of guinea pig brain cerebellum


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095705
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)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
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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3.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
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 [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1CCCCc1ccccc1)[C@H]2C |THB:8:9:25:14.12.13,15:14:25:9.3.2|
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)


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


(Homo sapiens (Human))
BDBM50217950
PNG
((1R,5S,9R)-(+)-5-(3-hydroxyphenyl)-9-methyl-2-phen...)
Show SMILES C[C@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
Show InChI InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22+,23-/m0/s1
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4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


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


J Med Chem 50: 3765-76 (2007)


Article DOI: 10.1021/jm061325e
BindingDB Entry DOI: 10.7270/Q2D21XB2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50095694
PNG
(3-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C17H22N2O/c1-12-16-10-13-4-5-14(20)11-15(13)17(12,2)6-9-19(16)8-3-7-18/h4-5,11-12,16,20H,3,6,8-10H2,1-2H3/t12-,16?,17-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor mu 1 using [3H]-DAMGO at the Kd concentration 0.57 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50037469
PNG
((6S,11R)-3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
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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4.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against mu receptor from displacement studies using 0.5 nM [3H]-DAMGO in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
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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4.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor was determined


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(MOUSE)
BDBM50095707
PNG
(3-But-3-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
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/h1,6-7,12-13,17,20H,5,8-11H2,2-3H3/t13-,17?,18-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor mu 1 using [3H]-DAMGO at the Kd concentration 0.57 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50037475
PNG
((6S,11R)-3-Hexyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:5:6:11:21.15.14,THB:20:21:11:6.8.7|
Show InChI InChI=1S/C20H31NO/c1-4-5-6-7-11-21-12-10-20(3)15(2)19(21)13-16-8-9-17(22)14-18(16)20/h8-9,14-15,19,22H,4-7,10-13H2,1-3H3/t15-,19?,20-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against mu receptor using [3H]DAMGO in homogenate of rat brain cerebellum


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
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 [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1CCC(C)C)[C@H]2C |THB:8:9:20:14.12.13,15:14:20:9.3.2|
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)


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


(Homo sapiens (Human))
BDBM50037482
PNG
((6S,11R)-3-Butyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
Show InChI InChI=1S/C18H27NO/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,4-5,8-11H2,1-3H3/t13-,17?,18-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against kappa receptor from displacement studies using 1.5 nM [3H]U-69593 in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
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 [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1CC#CC)[C@H]2C |THB:8:9:19:14.12.13,15:14:19:9.3.2|
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)


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


(MOUSE)
BDBM50041240
PNG
((6S,11R)-3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16?,17-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor delta 1 using [3H]-DPDPE at the Kd concentration 2.1 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095708
PNG
(3-Hex-5-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C20H29NO/c1-4-5-6-7-11-21-12-10-20(3)15(2)19(21)13-16-8-9-17(22)14-18(16)20/h4,8-9,14-15,19,22H,1,5-7,10-13H2,2-3H3/t15-,19?,20-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50095706
PNG
(4-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C18H24N2O/c1-13-17-11-14-5-6-15(21)12-16(14)18(13,2)7-10-20(17)9-4-3-8-19/h5-6,12-13,17,21H,3-4,7,9-11H2,1-2H3/t13-,17?,18-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor mu 1 using [3H]-DAMGO at the Kd concentration 0.57 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001037
PNG
(6,11-Dimethyl-3-(1-methyl-allyl)-1,2,3,4,5,6-hexah...)
Show SMILES [H][C@@](C)(C=C)N1CC[C@@]2(C)[C@@H](C)[C@@]1([H])Cc1ccc(O)cc21 |TLB:1:5:10:21.14.15,THB:20:21:10:5.7.6|
Show InChI InChI=1S/C18H25NO/c1-5-12(2)19-9-8-18(4)13(3)17(19)10-14-6-7-15(20)11-16(14)18/h5-7,11-13,17,20H,1,8-10H2,2-4H3/t12-,13+,17-,18+/m1/s1
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5.90n/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)


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


(Mus musculus (Mouse))
BDBM50095712
PNG
(6,11-Dimethyl-3-pent-4-enyl-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C19H27NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h4,7-8,13-14,18,21H,1,5-6,9-12H2,2-3H3/t14-,18?,19-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50037472
PNG
((6R,11S)-3-Butyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
Show InChI InChI=1S/C18H27NO/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,4-5,8-11H2,1-3H3/t13-,17?,18-/m1/s1
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6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against sigma receptor using displacement of 3 nM [3H]pentazocine in homogenate of guinea pig brain cerebellum


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095702
PNG
(5-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C19H26N2O/c1-14-18-12-15-6-7-16(22)13-17(15)19(14,2)8-11-21(18)10-5-3-4-9-20/h6-7,13-14,18,22H,3-5,8,10-12H2,1-2H3/t14-,18?,19-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM


J Med Chem 43: 5030-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H0C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50217947
PNG
((1S,5R)-(-)-5-(3-hydroxyphenyl)-9-methylene-2-phen...)
Show SMILES Oc1cccc(c1)[C@@]12CCC[C@H](N(CCc3ccccc3)CC1)C2=C |TLB:24:23:8.9.10:12.21.22|
Show InChI InChI=1S/C23H27NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17,22,25H,1,6,11-16H2/t22-,23-/m0/s1
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7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


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


J Med Chem 50: 3765-76 (2007)


Article DOI: 10.1021/jm061325e
BindingDB Entry DOI: 10.7270/Q2D21XB2
More data for this
Ligand-Target Pair
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