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PubMed code 16942039

Compile data set for download or QSAR
Found 54 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


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194266
PNG
((-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-ci...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31+,33+/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194266
PNG
((-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-ci...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31+,33+/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194264
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194266
PNG
((-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-ci...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31+,33+/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50097586
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-11-methyl-1-o...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(cc21)C(N)=O |TLB:6:5:20.13.15:11,14:13:11:5.3.4,THB:19:20:11:5.3.4|
Show InChI InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24)/t12-,17?,20-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194264
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1
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0.740n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194272
PNG
((+/-)-3-(cyclopropylmethyl)-6-ethyl-1,2,3,4,5,6-he...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(cc21)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:14:13:11:5.3.4,6:5:11:15.20.13,THB:19:20:11:5.3.4|
Show InChI InChI=1S/C34H38N2O2/c1-3-34-18-20-36(22-25-9-10-25)31(23(34)2)32(37)29-16-15-28(21-30(29)34)33(38)35-19-17-24-11-13-27(14-12-24)26-7-5-4-6-8-26/h4-8,11-16,21,23,25,31H,3,9-10,17-20,22H2,1-2H3,(H,35,38)/t23-,31?,34-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194271
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C27H34N2O/c1-19-25-17-22-10-11-23(26(30)28-14-12-20-6-4-3-5-7-20)16-24(22)27(19,2)13-15-29(25)18-21-8-9-21/h3-7,10-11,16,19,21,25H,8-9,12-15,17-18H2,1-2H3,(H,28,30)/t19-,25?,27-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194264
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097586
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-11-methyl-1-o...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(cc21)C(N)=O |TLB:6:5:20.13.15:11,14:13:11:5.3.4,THB:19:20:11:5.3.4|
Show InChI InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24)/t12-,17?,20-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194265
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C28H36N2O/c1-20-26-18-23-12-13-24(27(31)29-15-6-9-21-7-4-3-5-8-21)17-25(23)28(20,2)14-16-30(26)19-22-10-11-22/h3-5,7-8,12-13,17,20,22,26H,6,9-11,14-16,18-19H2,1-2H3,(H,29,31)/t20-,26?,28-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194270
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3,8:9:1:14.12.13|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-16-17-30(21-31(29)34(24,2)18-20-36(32)23-26-10-11-26)33(37)35-19-6-7-25-12-14-28(15-13-25)27-8-4-3-5-9-27/h3-5,8-9,12-17,21,24,26,32H,6-7,10-11,18-20,22-23H2,1-2H3,(H,35,37)/t24-,32?,34-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194265
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C28H36N2O/c1-20-26-18-23-12-13-24(27(31)29-15-6-9-21-7-4-3-5-8-21)17-25(23)28(20,2)14-16-30(26)19-22-10-11-22/h3-5,7-8,12-13,17,20,22,26H,6,9-11,14-16,18-19H2,1-2H3,(H,29,31)/t20-,26?,28-/m0/s1
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3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194272
PNG
((+/-)-3-(cyclopropylmethyl)-6-ethyl-1,2,3,4,5,6-he...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(cc21)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:14:13:11:5.3.4,6:5:11:15.20.13,THB:19:20:11:5.3.4|
Show InChI InChI=1S/C34H38N2O2/c1-3-34-18-20-36(22-25-9-10-25)31(23(34)2)32(37)29-16-15-28(21-30(29)34)33(38)35-19-17-24-11-13-27(14-12-24)26-7-5-4-6-8-26/h4-8,11-16,21,23,25,31H,3,9-10,17-20,22H2,1-2H3,(H,35,38)/t23-,31?,34-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194271
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C27H34N2O/c1-19-25-17-22-10-11-23(26(30)28-14-12-20-6-4-3-5-7-20)16-24(22)27(19,2)13-15-29(25)18-21-8-9-21/h3-7,10-11,16,19,21,25H,8-9,12-15,17-18H2,1-2H3,(H,28,30)/t19-,25?,27-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194272
PNG
((+/-)-3-(cyclopropylmethyl)-6-ethyl-1,2,3,4,5,6-he...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(cc21)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:14:13:11:5.3.4,6:5:11:15.20.13,THB:19:20:11:5.3.4|
Show InChI InChI=1S/C34H38N2O2/c1-3-34-18-20-36(22-25-9-10-25)31(23(34)2)32(37)29-16-15-28(21-30(29)34)33(38)35-19-17-24-11-13-27(14-12-24)26-7-5-4-6-8-26/h4-8,11-16,21,23,25,31H,3,9-10,17-20,22H2,1-2H3,(H,35,38)/t23-,31?,34-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194270
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3,8:9:1:14.12.13|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-16-17-30(21-31(29)34(24,2)18-20-36(32)23-26-10-11-26)33(37)35-19-6-7-25-12-14-28(15-13-25)27-8-4-3-5-9-27/h3-5,8-9,12-17,21,24,26,32H,6-7,10-11,18-20,22-23H2,1-2H3,(H,35,37)/t24-,32?,34-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194267
PNG
((+)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-ci...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31+,33-/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194268
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-15-16-30(21-31(29)34(24,2)18-20-36(32)23-26-9-10-26)33(37)35(3)19-17-25-11-13-28(14-12-25)27-7-5-4-6-8-27/h4-8,11-16,21,24,26,32H,9-10,17-20,22-23H2,1-3H3/t24-,32?,34-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194267
PNG
((+)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-ci...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31+,33-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194267
PNG
((+)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-ci...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31+,33-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194268
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-15-16-30(21-31(29)34(24,2)18-20-36(32)23-26-9-10-26)33(37)35(3)19-17-25-11-13-28(14-12-25)27-7-5-4-6-8-27/h4-8,11-16,21,24,26,32H,9-10,17-20,22-23H2,1-3H3/t24-,32?,34-/m0/s1
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11n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50370757
PNG
(CHEMBL1162933)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCc1ccc(cc1)-c1ccccc1 |THB:0:1:3.4.9:14.12.13,5:4:1:14.12.13,8:9:1:14.12.13,15:14:1:3.4.9|
Show InChI InChI=1S/C32H36N2O/c1-22-30-19-27-14-15-28(18-29(27)32(22,2)16-17-34(30)21-24-8-9-24)31(35)33-20-23-10-12-26(13-11-23)25-6-4-3-5-7-25/h3-7,10-15,18,22,24,30H,8-9,16-17,19-21H2,1-2H3,(H,33,35)
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11n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194268
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-15-16-30(21-31(29)34(24,2)18-20-36(32)23-26-9-10-26)33(37)35(3)19-17-25-11-13-28(14-12-25)27-7-5-4-6-8-27/h4-8,11-16,21,24,26,32H,9-10,17-20,22-23H2,1-3H3/t24-,32?,34-/m0/s1
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12n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194269
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C31H34N2O/c1-21-29-19-25-10-11-26(18-28(25)31(21,2)16-17-33(29)20-22-8-9-22)30(34)32-27-14-12-24(13-15-27)23-6-4-3-5-7-23/h3-7,10-15,18,21-22,29H,8-9,16-17,19-20H2,1-2H3,(H,32,34)/t21-,29?,31-/m0/s1
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18n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097586
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-11-methyl-1-o...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(cc21)C(N)=O |TLB:6:5:20.13.15:11,14:13:11:5.3.4,THB:19:20:11:5.3.4|
Show InChI InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24)/t12-,17?,20-/m0/s1
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23n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50370757
PNG
(CHEMBL1162933)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCc1ccc(cc1)-c1ccccc1 |THB:0:1:3.4.9:14.12.13,5:4:1:14.12.13,8:9:1:14.12.13,15:14:1:3.4.9|
Show InChI InChI=1S/C32H36N2O/c1-22-30-19-27-14-15-28(18-29(27)32(22,2)16-17-34(30)21-24-8-9-24)31(35)33-20-23-10-12-26(13-11-23)25-6-4-3-5-7-25/h3-7,10-15,18,22,24,30H,8-9,16-17,19-21H2,1-2H3,(H,33,35)
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26n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194273
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCc1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C26H32N2O/c1-18-24-15-21-10-11-22(25(29)27-16-19-6-4-3-5-7-19)14-23(21)26(18,2)12-13-28(24)17-20-8-9-20/h3-7,10-11,14,18,20,24H,8-9,12-13,15-17H2,1-2H3,(H,27,29)/t18-,24?,26-/m0/s1
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27n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194269
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C31H34N2O/c1-21-29-19-25-10-11-26(18-28(25)31(21,2)16-17-33(29)20-22-8-9-22)30(34)32-27-14-12-24(13-15-27)23-6-4-3-5-7-23/h3-7,10-15,18,21-22,29H,8-9,16-17,19-20H2,1-2H3,(H,32,34)/t21-,29?,31-/m0/s1
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27n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194273
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCc1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C26H32N2O/c1-18-24-15-21-10-11-22(25(29)27-16-19-6-4-3-5-7-19)14-23(21)26(18,2)12-13-28(24)17-20-8-9-20/h3-7,10-11,14,18,20,24H,8-9,12-13,15-17H2,1-2H3,(H,27,29)/t18-,24?,26-/m0/s1
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36n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194265
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C28H36N2O/c1-20-26-18-23-12-13-24(27(31)29-15-6-9-21-7-4-3-5-8-21)17-25(23)28(20,2)14-16-30(26)19-22-10-11-22/h3-5,7-8,12-13,17,20,22,26H,6,9-11,14-16,18-19H2,1-2H3,(H,29,31)/t20-,26?,28-/m0/s1
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47n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194271
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C27H34N2O/c1-19-25-17-22-10-11-23(26(30)28-14-12-20-6-4-3-5-7-20)16-24(22)27(19,2)13-15-29(25)18-21-8-9-21/h3-7,10-11,16,19,21,25H,8-9,12-15,17-18H2,1-2H3,(H,28,30)/t19-,25?,27-/m0/s1
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59n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194270
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3,8:9:1:14.12.13|
Show InChI InChI=1S/C34H40N2O/c1-24-32-22-29-16-17-30(21-31(29)34(24,2)18-20-36(32)23-26-10-11-26)33(37)35-19-6-7-25-12-14-28(15-13-25)27-8-4-3-5-9-27/h3-5,8-9,12-17,21,24,26,32H,6-7,10-11,18-20,22-23H2,1-2H3,(H,35,37)/t24-,32?,34-/m0/s1
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72n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194269
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C31H34N2O/c1-21-29-19-25-10-11-26(18-28(25)31(21,2)16-17-33(29)20-22-8-9-22)30(34)32-27-14-12-24(13-15-27)23-6-4-3-5-7-23/h3-7,10-15,18,21-22,29H,8-9,16-17,19-20H2,1-2H3,(H,32,34)/t21-,29?,31-/m0/s1
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110n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50370757
PNG
(CHEMBL1162933)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCc1ccc(cc1)-c1ccccc1 |THB:0:1:3.4.9:14.12.13,5:4:1:14.12.13,8:9:1:14.12.13,15:14:1:3.4.9|
Show InChI InChI=1S/C32H36N2O/c1-22-30-19-27-14-15-28(18-29(27)32(22,2)16-17-34(30)21-24-8-9-24)31(35)33-20-23-10-12-26(13-11-23)25-6-4-3-5-7-25/h3-7,10-15,18,22,24,30H,8-9,16-17,19-21H2,1-2H3,(H,33,35)
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170n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194273
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCc1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C26H32N2O/c1-18-24-15-21-10-11-22(25(29)27-16-19-6-4-3-5-7-19)14-23(21)26(18,2)12-13-28(24)17-20-8-9-20/h3-7,10-11,14,18,20,24H,8-9,12-13,15-17H2,1-2H3,(H,27,29)/t18-,24?,26-/m0/s1
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210n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50097577
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C25H30N2O/c1-17-23-15-19-10-11-20(24(28)26-21-6-4-3-5-7-21)14-22(19)25(17,2)12-13-27(23)16-18-8-9-18/h3-7,10-11,14,17-18,23H,8-9,12-13,15-16H2,1-2H3,(H,26,28)/t17-,23?,25-/m0/s1
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270n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097577
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C25H30N2O/c1-17-23-15-19-10-11-20(24(28)26-21-6-4-3-5-7-21)14-22(19)25(17,2)12-13-27(23)16-18-8-9-18/h3-7,10-11,14,17-18,23H,8-9,12-13,15-16H2,1-2H3,(H,26,28)/t17-,23?,25-/m0/s1
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840n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097577
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C25H30N2O/c1-17-23-15-19-10-11-20(24(28)26-21-6-4-3-5-7-21)14-22(19)25(17,2)12-13-27(23)16-18-8-9-18/h3-7,10-11,14,17-18,23H,8-9,12-13,15-16H2,1-2H3,(H,26,28)/t17-,23?,25-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194264
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194266
PNG
((-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-ci...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31+,33+/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194264
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-stimulated [35S]GTP-gamma-S binding


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/an/an/a 4.80n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50194264
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 55n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50194266
PNG
((-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-ci...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31+,33+/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50097579
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19-/m0/s1
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n/an/an/an/a 4.40n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194266
PNG
((-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-ci...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
Show InChI InChI=1S/C33H38N2O/c1-23-31-21-28-14-15-29(20-30(28)33(23,2)17-19-35(31)22-25-8-9-25)32(36)34-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,20,23,25,31H,8-9,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31+,33+/m0/s1
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n/an/an/an/a 6.90n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-stimulated [35S]GTP-gamma-S binding


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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n/an/an/an/a 36n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%