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PubMed code 18417347

Compile data set for download or QSAR
Found 62 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]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261628
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,...)
Show SMILES C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H26N4/c1-12-16-9-14-5-6-15-18(22-11-23-19(15)21)17(14)20(12,2)7-8-24(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H2,21,22,23)/t12-,16?,20-/m0/s1
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0.550n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261178
PNG
(CHEMBL522375 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:13:1:18.16.17,19:18:1:4.13.3|
Show InChI InChI=1S/C19H27N3O/c1-11-15-9-13-5-6-14(18(21)23)17(20)16(13)19(11,2)7-8-22(15)10-12-3-4-12/h5-6,11-12,15H,3-4,7-10,20H2,1-2H3,(H2,21,23)/t11-,15?,19-/m0/s1
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0.550n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261178
PNG
(CHEMBL522375 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:13:1:18.16.17,19:18:1:4.13.3|
Show InChI InChI=1S/C19H27N3O/c1-11-15-9-13-5-6-14(18(21)23)17(20)16(13)19(11,2)7-8-22(15)10-12-3-4-12/h5-6,11-12,15H,3-4,7-10,20H2,1-2H3,(H2,21,23)/t11-,15?,19-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261180
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,14...)
Show SMILES C[C@H]1C2Cc3cc4cc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C21H26N2O/c1-13-19-10-16-9-15-5-7-22-20(24)17(15)11-18(16)21(13,2)6-8-23(19)12-14-3-4-14/h5,7,9,11,13-14,19H,3-4,6,8,10,12H2,1-2H3,(H,22,24)/t13-,19?,21-/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]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261628
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,...)
Show SMILES C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H26N4/c1-12-16-9-14-5-6-15-18(22-11-23-19(15)21)17(14)20(12,2)7-8-24(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H2,21,22,23)/t12-,16?,20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
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]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261689
PNG
(CHEMBL509054 | cis-rac-3-Cyclopropylmethyl-6,11-di...)
Show SMILES C[C@H]1C2Cc3ccc(O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C18H24N2O3/c1-11-14-9-13-5-6-15(21)17(20(22)23)16(13)18(11,2)7-8-19(14)10-12-3-4-12/h5-6,11-12,14,21H,3-4,7-10H2,1-2H3/t11-,14?,18-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261180
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,14...)
Show SMILES C[C@H]1C2Cc3cc4cc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C21H26N2O/c1-13-19-10-16-9-15-5-7-22-20(24)17(15)11-18(16)21(13,2)6-8-23(19)12-14-3-4-14/h5,7,9,11,13-14,19H,3-4,6,8,10,12H2,1-2H3,(H,22,24)/t13-,19?,21-/m0/s1
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5.5n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261630
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-N-[2...)
Show SMILES C[C@H]1C2Cc3ccc4c(NCCc5ccc(cc5)-c5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3|
Show InChI InChI=1S/C34H38N4/c1-23-30-20-28-14-15-29-32(31(28)34(23,2)17-19-38(30)21-25-8-9-25)36-22-37-33(29)35-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,22-23,25,30H,8-9,16-21H2,1-2H3,(H,35,36,37)/t23-,30?,34-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261630
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-N-[2...)
Show SMILES C[C@H]1C2Cc3ccc4c(NCCc5ccc(cc5)-c5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3|
Show InChI InChI=1S/C34H38N4/c1-23-30-20-28-14-15-29-32(31(28)34(23,2)17-19-38(30)21-25-8-9-25)36-22-37-33(29)35-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,22-23,25,30H,8-9,16-21H2,1-2H3,(H,35,36,37)/t23-,30?,34-/m0/s1
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8.60n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261626
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,8,...)
Show SMILES C[C@H]1C2Cc3cc4nc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H25N3O/c1-12-18-8-14-7-17-15(19(24)22-11-21-17)9-16(14)20(12,2)5-6-23(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H,21,22,24)/t12-,18?,20-/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]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261176
PNG
(CHEMBL494614 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3ccc(C(N)=O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:11:12:1:17.15.16,18:17:1:4.12.3|
Show InChI InChI=1S/C19H25N3O3/c1-11-15-9-13-5-6-14(18(20)23)17(22(24)25)16(13)19(11,2)7-8-21(15)10-12-3-4-12/h5-6,11-12,15H,3-4,7-10H2,1-2H3,(H2,20,23)/t11-,15?,19-/m0/s1
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20n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
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
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261687
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-N-[2...)
Show SMILES C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(cc5)-c5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3|
Show InChI InChI=1S/C34H38N4/c1-23-32-19-28-18-31-29(20-30(28)34(23,2)15-17-38(32)21-25-8-9-25)33(37-22-36-31)35-16-14-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-13,18,20,22-23,25,32H,8-9,14-17,19,21H2,1-2H3,(H,35,36,37)/t23-,32?,34-/m0/s1
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28n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261689
PNG
(CHEMBL509054 | cis-rac-3-Cyclopropylmethyl-6,11-di...)
Show SMILES C[C@H]1C2Cc3ccc(O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C18H24N2O3/c1-11-14-9-13-5-6-15(21)17(20(22)23)16(13)18(11,2)7-8-19(14)10-12-3-4-12/h5-6,11-12,14,21H,3-4,7-10H2,1-2H3/t11-,14?,18-/m0/s1
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32n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261179
PNG
(CHEMBL495462 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3cc(N)c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C19H27N3O/c1-11-17-8-13-7-16(20)14(18(21)23)9-15(13)19(11,2)5-6-22(17)10-12-3-4-12/h7,9,11-12,17H,3-6,8,10,20H2,1-2H3,(H2,21,23)/t11-,17?,19-/m0/s1
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32n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261176
PNG
(CHEMBL494614 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3ccc(C(N)=O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:11:12:1:17.15.16,18:17:1:4.12.3|
Show InChI InChI=1S/C19H25N3O3/c1-11-15-9-13-5-6-14(18(20)23)17(22(24)25)16(13)19(11,2)7-8-21(15)10-12-3-4-12/h5-6,11-12,15H,3-4,7-10H2,1-2H3,(H2,20,23)/t11-,15?,19-/m0/s1
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34n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261178
PNG
(CHEMBL522375 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:13:1:18.16.17,19:18:1:4.13.3|
Show InChI InChI=1S/C19H27N3O/c1-11-15-9-13-5-6-14(18(21)23)17(20)16(13)19(11,2)7-8-22(15)10-12-3-4-12/h5-6,11-12,15H,3-4,7-10,20H2,1-2H3,(H2,21,23)/t11-,15?,19-/m0/s1
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35n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
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]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261686
PNG
((1S,17R)-N-benzyl-14-(cyclopropylmethyl)-1,17-dime...)
Show SMILES C[C@H]1C2Cc3ccc4c(NCc5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3|
Show InChI InChI=1S/C27H32N4/c1-18-23-14-21-10-11-22-25(24(21)27(18,2)12-13-31(23)16-20-8-9-20)29-17-30-26(22)28-15-19-6-4-3-5-7-19/h3-7,10-11,17-18,20,23H,8-9,12-16H2,1-2H3,(H,28,29,30)/t18-,23?,27-/m0/s1
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44n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261688
PNG
((1S,17R)-N-benzyl-14-(cyclopropylmethyl)-1,17-dime...)
Show SMILES C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3|
Show InChI InChI=1S/C27H32N4/c1-18-25-13-21-12-24-22(26(30-17-29-24)28-15-19-6-4-3-5-7-19)14-23(21)27(18,2)10-11-31(25)16-20-8-9-20/h3-7,12,14,17-18,20,25H,8-11,13,15-16H2,1-2H3,(H,28,29,30)/t18-,25?,27-/m0/s1
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48n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261630
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-N-[2...)
Show SMILES C[C@H]1C2Cc3ccc4c(NCCc5ccc(cc5)-c5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3|
Show InChI InChI=1S/C34H38N4/c1-23-30-20-28-14-15-29-32(31(28)34(23,2)17-19-38(30)21-25-8-9-25)36-22-37-33(29)35-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,22-23,25,30H,8-9,16-21H2,1-2H3,(H,35,36,37)/t23-,30?,34-/m0/s1
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52n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261180
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,14...)
Show SMILES C[C@H]1C2Cc3cc4cc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C21H26N2O/c1-13-19-10-16-9-15-5-7-22-20(24)17(15)11-18(16)21(13,2)6-8-23(19)12-14-3-4-14/h5,7,9,11,13-14,19H,3-4,6,8,10,12H2,1-2H3,(H,22,24)/t13-,19?,21-/m0/s1
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74n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261179
PNG
(CHEMBL495462 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3cc(N)c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C19H27N3O/c1-11-17-8-13-7-16(20)14(18(21)23)9-15(13)19(11,2)5-6-22(17)10-12-3-4-12/h7,9,11-12,17H,3-6,8,10,20H2,1-2H3,(H2,21,23)/t11-,17?,19-/m0/s1
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88n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261688
PNG
((1S,17R)-N-benzyl-14-(cyclopropylmethyl)-1,17-dime...)
Show SMILES C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3|
Show InChI InChI=1S/C27H32N4/c1-18-25-13-21-12-24-22(26(30-17-29-24)28-15-19-6-4-3-5-7-19)14-23(21)27(18,2)10-11-31(25)16-20-8-9-20/h3-7,12,14,17-18,20,25H,8-11,13,15-16H2,1-2H3,(H,28,29,30)/t18-,25?,27-/m0/s1
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88n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261177
PNG
(CHEMBL495461 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3cc(c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O)[N+]([O-])=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H25N3O3/c1-11-16-7-13-8-17(22(24)25)14(18(20)23)9-15(13)19(11,2)5-6-21(16)10-12-3-4-12/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,20,23)/t11-,16?,19-/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]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261628
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,...)
Show SMILES C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H26N4/c1-12-16-9-14-5-6-15-18(22-11-23-19(15)21)17(14)20(12,2)7-8-24(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H2,21,22,23)/t12-,16?,20-/m0/s1
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120n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261687
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-N-[2...)
Show SMILES C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(cc5)-c5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3|
Show InChI InChI=1S/C34H38N4/c1-23-32-19-28-18-31-29(20-30(28)34(23,2)15-17-38(32)21-25-8-9-25)33(37-22-36-31)35-16-14-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-13,18,20,22-23,25,32H,8-9,14-17,19,21H2,1-2H3,(H,35,36,37)/t23-,32?,34-/m0/s1
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140n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261627
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,...)
Show SMILES C[C@H]1C2Cc3ccc4c(nc[nH]c4=O)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:8:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H25N3O/c1-12-16-9-14-5-6-15-18(21-11-22-19(15)24)17(14)20(12,2)7-8-23(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,21,22,24)/t12-,16?,20-/m0/s1
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160n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261626
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,8,...)
Show SMILES C[C@H]1C2Cc3cc4nc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H25N3O/c1-12-18-8-14-7-17-15(19(24)22-11-21-17)9-16(14)20(12,2)5-6-23(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H,21,22,24)/t12-,18?,20-/m0/s1
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170n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261176
PNG
(CHEMBL494614 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3ccc(C(N)=O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:11:12:1:17.15.16,18:17:1:4.12.3|
Show InChI InChI=1S/C19H25N3O3/c1-11-15-9-13-5-6-14(18(20)23)17(22(24)25)16(13)19(11,2)7-8-21(15)10-12-3-4-12/h5-6,11-12,15H,3-4,7-10H2,1-2H3,(H2,20,23)/t11-,15?,19-/m0/s1
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220n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261686
PNG
((1S,17R)-N-benzyl-14-(cyclopropylmethyl)-1,17-dime...)
Show SMILES C[C@H]1C2Cc3ccc4c(NCc5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3|
Show InChI InChI=1S/C27H32N4/c1-18-23-14-21-10-11-22-25(24(21)27(18,2)12-13-31(23)16-20-8-9-20)29-17-30-26(22)28-15-19-6-4-3-5-7-19/h3-7,10-11,17-18,20,23H,8-9,12-16H2,1-2H3,(H,28,29,30)/t18-,23?,27-/m0/s1
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240n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261627
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,...)
Show SMILES C[C@H]1C2Cc3ccc4c(nc[nH]c4=O)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:8:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H25N3O/c1-12-16-9-14-5-6-15-18(21-11-22-19(15)24)17(14)20(12,2)7-8-23(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,21,22,24)/t12-,16?,20-/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]DAMGO from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261687
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-N-[2...)
Show SMILES C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(cc5)-c5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3|
Show InChI InChI=1S/C34H38N4/c1-23-32-19-28-18-31-29(20-30(28)34(23,2)15-17-38(32)21-25-8-9-25)33(37-22-36-31)35-16-14-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-13,18,20,22-23,25,32H,8-9,14-17,19,21H2,1-2H3,(H,35,36,37)/t23-,32?,34-/m0/s1
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410n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261629
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,8,...)
Show SMILES C[C@H]1C2Cc3cc4ncnc(N)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H26N4/c1-12-18-8-14-7-17-15(19(21)23-11-22-17)9-16(14)20(12,2)5-6-24(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H2,21,22,23)/t12-,18?,20-/m0/s1
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560n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261175
PNG
(CHEMBL494613 | rac-(cis)-3-Cyclopropylmethyl-6,11-...)
Show SMILES C[C@H]1C2Cc3cc(c(O)cc3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C18H24N2O3/c1-11-15-7-13-8-16(20(22)23)17(21)9-14(13)18(11,2)5-6-19(15)10-12-3-4-12/h8-9,11-12,15,21H,3-7,10H2,1-2H3/t11-,15?,18-/m0/s1
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580n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261177
PNG
(CHEMBL495461 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3cc(c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O)[N+]([O-])=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H25N3O3/c1-11-16-7-13-8-17(22(24)25)14(18(20)23)9-15(13)19(11,2)5-6-21(16)10-12-3-4-12/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,20,23)/t11-,16?,19-/m0/s1
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630n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261177
PNG
(CHEMBL495461 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3cc(c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O)[N+]([O-])=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C19H25N3O3/c1-11-16-7-13-8-17(22(24)25)14(18(20)23)9-15(13)19(11,2)5-6-21(16)10-12-3-4-12/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,20,23)/t11-,16?,19-/m0/s1
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730n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261626
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,8,...)
Show SMILES C[C@H]1C2Cc3cc4nc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H25N3O/c1-12-18-8-14-7-17-15(19(24)22-11-21-17)9-16(14)20(12,2)5-6-23(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H,21,22,24)/t12-,18?,20-/m0/s1
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780n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261629
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,8,...)
Show SMILES C[C@H]1C2Cc3cc4ncnc(N)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H26N4/c1-12-18-8-14-7-17-15(19(21)23-11-22-17)9-16(14)20(12,2)5-6-24(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H2,21,22,23)/t12-,18?,20-/m0/s1
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890n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261688
PNG
((1S,17R)-N-benzyl-14-(cyclopropylmethyl)-1,17-dime...)
Show SMILES C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3|
Show InChI InChI=1S/C27H32N4/c1-18-25-13-21-12-24-22(26(30-17-29-24)28-15-19-6-4-3-5-7-19)14-23(21)27(18,2)10-11-31(25)16-20-8-9-20/h3-7,12,14,17-18,20,25H,8-11,13,15-16H2,1-2H3,(H,28,29,30)/t18-,25?,27-/m0/s1
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1.00E+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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261686
PNG
((1S,17R)-N-benzyl-14-(cyclopropylmethyl)-1,17-dime...)
Show SMILES C[C@H]1C2Cc3ccc4c(NCc5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3|
Show InChI InChI=1S/C27H32N4/c1-18-23-14-21-10-11-22-25(24(21)27(18,2)12-13-31(23)16-20-8-9-20)29-17-30-26(22)28-15-19-6-4-3-5-7-19/h3-7,10-11,17-18,20,23H,8-9,12-16H2,1-2H3,(H,28,29,30)/t18-,23?,27-/m0/s1
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1.50E+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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261689
PNG
(CHEMBL509054 | cis-rac-3-Cyclopropylmethyl-6,11-di...)
Show SMILES C[C@H]1C2Cc3ccc(O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C18H24N2O3/c1-11-14-9-13-5-6-15(21)17(20(22)23)16(13)18(11,2)7-8-19(14)10-12-3-4-12/h5-6,11-12,14,21H,3-4,7-10H2,1-2H3/t11-,14?,18-/m0/s1
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1.90E+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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261179
PNG
(CHEMBL495462 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3cc(N)c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C19H27N3O/c1-11-17-8-13-7-16(20)14(18(21)23)9-15(13)19(11,2)5-6-22(17)10-12-3-4-12/h7,9,11-12,17H,3-6,8,10,20H2,1-2H3,(H2,21,23)/t11-,17?,19-/m0/s1
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2.00E+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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261627
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,...)
Show SMILES C[C@H]1C2Cc3ccc4c(nc[nH]c4=O)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:8:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H25N3O/c1-12-16-9-14-5-6-15-18(21-11-22-19(15)24)17(14)20(12,2)7-8-23(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,21,22,24)/t12-,16?,20-/m0/s1
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2.00E+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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261175
PNG
(CHEMBL494613 | rac-(cis)-3-Cyclopropylmethyl-6,11-...)
Show SMILES C[C@H]1C2Cc3cc(c(O)cc3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C18H24N2O3/c1-11-15-7-13-8-16(20(22)23)17(21)9-14(13)18(11,2)5-6-19(15)10-12-3-4-12/h8-9,11-12,15,21H,3-7,10H2,1-2H3/t11-,15?,18-/m0/s1
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3.80E+3n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261175
PNG
(CHEMBL494613 | rac-(cis)-3-Cyclopropylmethyl-6,11-...)
Show SMILES C[C@H]1C2Cc3cc(c(O)cc3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C18H24N2O3/c1-11-15-7-13-8-16(20(22)23)17(21)9-14(13)18(11,2)5-6-19(15)10-12-3-4-12/h8-9,11-12,15,21H,3-7,10H2,1-2H3/t11-,15?,18-/m0/s1
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>1.00E+4n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261629
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,8,...)
Show SMILES C[C@H]1C2Cc3cc4ncnc(N)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H26N4/c1-12-18-8-14-7-17-15(19(21)23-11-22-17)9-16(14)20(12,2)5-6-24(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H2,21,22,23)/t12-,18?,20-/m0/s1
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>1.00E+4n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261628
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,...)
Show SMILES C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H26N4/c1-12-16-9-14-5-6-15-18(22-11-23-19(15)21)17(14)20(12,2)7-8-24(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H2,21,22,23)/t12-,16?,20-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261178
PNG
(CHEMBL522375 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:13:1:18.16.17,19:18:1:4.13.3|
Show InChI InChI=1S/C19H27N3O/c1-11-15-9-13-5-6-14(18(21)23)17(20)16(13)19(11,2)7-8-22(15)10-12-3-4-12/h5-6,11-12,15H,3-4,7-10,20H2,1-2H3,(H2,21,23)/t11-,15?,19-/m0/s1
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n/an/a 31n/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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261180
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,14...)
Show SMILES C[C@H]1C2Cc3cc4cc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C21H26N2O/c1-13-19-10-16-9-15-5-7-22-20(24)17(15)11-18(16)21(13,2)6-8-23(19)12-14-3-4-14/h5,7,9,11,13-14,19H,3-4,6,8,10,12H2,1-2H3,(H,22,24)/t13-,19?,21-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261628
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,...)
Show SMILES C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C20H26N4/c1-12-16-9-14-5-6-15-18(22-11-23-19(15)21)17(14)20(12,2)7-8-24(16)10-13-3-4-13/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H2,21,22,23)/t12-,16?,20-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
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
Activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261180
PNG
((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-6,14...)
Show SMILES C[C@H]1C2Cc3cc4cc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
Show InChI InChI=1S/C21H26N2O/c1-13-19-10-16-9-15-5-7-22-20(24)17(15)11-18(16)21(13,2)6-8-23(19)12-14-3-4-14/h5,7,9,11,13-14,19H,3-4,6,8,10,12H2,1-2H3,(H,22,24)/t13-,19?,21-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261178
PNG
(CHEMBL522375 | cis-(+/-)-3-(Cyclopropylmethyl)-1,2...)
Show SMILES C[C@H]1C2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:13:1:18.16.17,19:18:1:4.13.3|
Show InChI InChI=1S/C19H27N3O/c1-11-15-9-13-5-6-14(18(21)23)17(20)16(13)19(11,2)7-8-22(15)10-12-3-4-12/h5-6,11-12,15H,3-4,7-10,20H2,1-2H3,(H2,21,23)/t11-,15?,19-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
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
Activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%