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PubMed code 11150174

Compile data set for download or QSAR
Found 84 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Delta-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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9.80n/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)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(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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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)

More data for this
Ligand-Target Pair
Delta-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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10n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095692
PNG
(6,11-Dimethyl-3-pent-4-ynyl-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/C19H25NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h1,7-8,13-14,18,21H,5-6,9-12H2,2-3H3/t14-,18?,19-/m0/s1
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11n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095696
PNG
(6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C20H28N2O/c1-15-19-13-16-7-8-17(23)14-18(16)20(15,2)9-12-22(19)11-6-4-3-5-10-21/h7-8,14-15,19,23H,3-6,9,11-13H2,1-2H3/t15-,19?,20-/m0/s1
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11n/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)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50095696
PNG
(6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C20H28N2O/c1-15-19-13-16-7-8-17(23)14-18(16)20(15,2)9-12-22(19)11-6-4-3-5-10-21/h7-8,14-15,19,23H,3-6,9,11-13H2,1-2H3/t15-,19?,20-/m0/s1
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15n/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)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(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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15n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095695
PNG
(3-But-3-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES CC1C2Cc3ccc(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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15n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095714
PNG
(7-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H30N2O/c1-16-20-14-17-8-9-18(24)15-19(17)21(16,2)10-13-23(20)12-7-5-3-4-6-11-22/h8-9,15-16,20,24H,3-7,10,12-14H2,1-2H3/t16?,20?,21-/m0/s1
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16n/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)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(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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18n/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)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50095692
PNG
(6,11-Dimethyl-3-pent-4-ynyl-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/C19H25NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h1,7-8,13-14,18,21H,5-6,9-12H2,2-3H3/t14-,18?,19-/m0/s1
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18n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095716
PNG
(6,11-Dimethyl-3-pent-4-ynyl-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/C19H25NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h1,7-8,13-14,18,21H,5-6,9-12H2,2-3H3/t14?,18?,19-/m0/s1
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18n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095710
PNG
(4-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(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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20n/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)

More data for this
Ligand-Target Pair
Delta-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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21n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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22n/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)

More data for this
Ligand-Target Pair
Delta-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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23n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095715
PNG
(6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C20H28N2O/c1-15-19-13-16-7-8-17(23)14-18(16)20(15,2)9-12-22(19)11-6-4-3-5-10-21/h7-8,14-15,19,23H,3-6,9,11-13H2,1-2H3/t15?,19?,20-/m0/s1
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33n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095697
PNG
(5-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(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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36n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095700
PNG
(7-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H30N2O/c1-16-20-14-17-8-9-18(24)15-19(17)21(16,2)10-13-23(20)12-7-5-3-4-6-11-22/h8-9,15-16,20,24H,3-7,10,12-14H2,1-2H3/t16-,20?,21-/m0/s1
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38n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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50n/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)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(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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56n/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)

More data for this
Ligand-Target Pair
Delta-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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60n/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)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(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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60n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095693
PNG
((8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C16H20N2O/c1-11-15-9-12-3-4-13(19)10-14(12)16(11,2)5-7-18(15)8-6-17/h3-4,10-11,15,19H,5,7-9H2,1-2H3/t11-,15?,16-/m0/s1
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70n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50095700
PNG
(7-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H30N2O/c1-16-20-14-17-8-9-18(24)15-19(17)21(16,2)10-13-23(20)12-7-5-3-4-6-11-22/h8-9,15-16,20,24H,3-7,10,12-14H2,1-2H3/t16-,20?,21-/m0/s1
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80n/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)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50095700
PNG
(7-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H30N2O/c1-16-20-14-17-8-9-18(24)15-19(17)21(16,2)10-13-23(20)12-7-5-3-4-6-11-22/h8-9,15-16,20,24H,3-7,10,12-14H2,1-2H3/t16-,20?,21-/m0/s1
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90n/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)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50095693
PNG
((8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C16H20N2O/c1-11-15-9-12-3-4-13(19)10-14(12)16(11,2)5-7-18(15)8-6-17/h3-4,10-11,15,19H,5,7-9H2,1-2H3/t11-,15?,16-/m0/s1
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100n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095701
PNG
(3-But-3-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES CC1C2Cc3ccc(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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110n/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)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50095692
PNG
(6,11-Dimethyl-3-pent-4-ynyl-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/C19H25NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h1,7-8,13-14,18,21H,5-6,9-12H2,2-3H3/t14-,18?,19-/m0/s1
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140n/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)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(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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160n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50095713
PNG
(3-But-2-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES CC#CCN1CC[C@@]2(C)C(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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160n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50095692
PNG
(6,11-Dimethyl-3-pent-4-ynyl-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/C19H25NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h1,7-8,13-14,18,21H,5-6,9-12H2,2-3H3/t14-,18?,19-/m0/s1
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200n/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)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50095696
PNG
(6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C20H28N2O/c1-15-19-13-16-7-8-17(23)14-18(16)20(15,2)9-12-22(19)11-6-4-3-5-10-21/h7-8,14-15,19,23H,3-6,9,11-13H2,1-2H3/t15-,19?,20-/m0/s1
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220n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095710
PNG
(4-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(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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240n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095709
PNG
(3-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(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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250n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095698
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES CC1C2Cc3ccc(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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300n/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)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50095700
PNG
(7-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H30N2O/c1-16-20-14-17-8-9-18(24)15-19(17)21(16,2)10-13-23(20)12-7-5-3-4-6-11-22/h8-9,15-16,20,24H,3-7,10,12-14H2,1-2H3/t16-,20?,21-/m0/s1
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350n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
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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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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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490n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095715
PNG
(6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C20H28N2O/c1-15-19-13-16-7-8-17(23)14-18(16)20(15,2)9-12-22(19)11-6-4-3-5-10-21/h7-8,14-15,19,23H,3-6,9,11-13H2,1-2H3/t15?,19?,20-/m0/s1
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500n/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)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50095693
PNG
((8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C16H20N2O/c1-11-15-9-12-3-4-13(19)10-14(12)16(11,2)5-7-18(15)8-6-17/h3-4,10-11,15,19H,5,7-9H2,1-2H3/t11-,15?,16-/m0/s1
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590n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095709
PNG
(3-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(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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600n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50095696
PNG
(6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C20H28N2O/c1-15-19-13-16-7-8-17(23)14-18(16)20(15,2)9-12-22(19)11-6-4-3-5-10-21/h7-8,14-15,19,23H,3-6,9,11-13H2,1-2H3/t15-,19?,20-/m0/s1
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640n/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)

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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760n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
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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980n/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)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50095697
PNG
(5-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(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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1.30E+3n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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1.60E+3n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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1.70E+3n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095714
PNG
(7-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H30N2O/c1-16-20-14-17-8-9-18(24)15-19(17)21(16,2)10-13-23(20)12-7-5-3-4-6-11-22/h8-9,15-16,20,24H,3-7,10,12-14H2,1-2H3/t16?,20?,21-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

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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2.50E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095716
PNG
(6,11-Dimethyl-3-pent-4-ynyl-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/C19H25NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h1,7-8,13-14,18,21H,5-6,9-12H2,2-3H3/t14?,18?,19-/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50095697
PNG
(5-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(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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4.80E+3n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095715
PNG
(6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C20H28N2O/c1-15-19-13-16-7-8-17(23)14-18(16)20(15,2)9-12-22(19)11-6-4-3-5-10-21/h7-8,14-15,19,23H,3-6,9,11-13H2,1-2H3/t15?,19?,20-/m0/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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5.90E+3n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095695
PNG
(3-But-3-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES CC1C2Cc3ccc(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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7.60E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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9.80E+3n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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9.80E+3n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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1.10E+4n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095717
PNG
((8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6...)
Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C16H20N2O/c1-11-15-9-12-3-4-13(19)10-14(12)16(11,2)5-7-18(15)8-6-17/h3-4,10-11,15,19H,5,7-9H2,1-2H3/t11?,15?,16-/m0/s1
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1.10E+4n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50095693
PNG
((8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6...)
Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C16H20N2O/c1-11-15-9-12-3-4-13(19)10-14(12)16(11,2)5-7-18(15)8-6-17/h3-4,10-11,15,19H,5,7-9H2,1-2H3/t11-,15?,16-/m0/s1
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1.30E+4n/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)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095697
PNG
(5-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(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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1.30E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095701
PNG
(3-But-3-ynyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Show SMILES CC1C2Cc3ccc(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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1.50E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095698
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES CC1C2Cc3ccc(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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2.70E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095710
PNG
(4-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(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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3.40E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095717
PNG
((8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6...)
Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
Show InChI InChI=1S/C16H20N2O/c1-11-15-9-12-3-4-13(19)10-14(12)16(11,2)5-7-18(15)8-6-17/h3-4,10-11,15,19H,5,7-9H2,1-2H3/t11?,15?,16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.30E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50095709
PNG
(3-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CC1C2Cc3ccc(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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding


J Med Chem 43: 5030-6 (2001)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%