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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50042831   
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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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 0.0640n/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 cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431840
PNG
(CHEMBL2347235)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-27-9-10-28(19-29(27)32(22,2)14-18-35(30)21-24-3-4-24)31(36)34-17-11-23-5-7-25(8-6-23)26-12-15-33-16-13-26/h5-10,12-13,15-16,19,22,24,30H,3-4,11,14,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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 0.0650n/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 cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431838
PNG
(CHEMBL2347237)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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 0.330n/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 cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431837
PNG
(CHEMBL2347238)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-28(26)32(22,2)15-17-35(30)21-24-8-9-24)31(36)33-16-14-23-10-13-29(34-20-23)25-6-4-3-5-7-25/h3-7,10-13,18,20,22,24,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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 0.610n/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 cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431841
PNG
(CHEMBL2347239)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-25-10-11-26(18-29(25)32(22,2)15-17-35(30)21-23-8-9-23)31(36)33-16-14-28-13-12-27(20-34-28)24-6-4-3-5-7-24/h3-7,10-13,18,20,22-23,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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 0.820n/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 cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50431841
PNG
(CHEMBL2347239)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-25-10-11-26(18-29(25)32(22,2)15-17-35(30)21-23-8-9-23)31(36)33-16-14-28-13-12-27(20-34-28)24-6-4-3-5-7-24/h3-7,10-13,18,20,22-23,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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 1.40n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50431840
PNG
(CHEMBL2347235)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-27-9-10-28(19-29(27)32(22,2)14-18-35(30)21-24-3-4-24)31(36)34-17-11-23-5-7-25(8-6-23)26-12-15-33-16-13-26/h5-10,12-13,15-16,19,22,24,30H,3-4,11,14,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/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]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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 2.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50431837
PNG
(CHEMBL2347238)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-28(26)32(22,2)15-17-35(30)21-24-8-9-24)31(36)33-16-14-23-10-13-29(34-20-23)25-6-4-3-5-7-25/h3-7,10-13,18,20,22,24,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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 2.60n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50431838
PNG
(CHEMBL2347237)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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 3.30n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50431841
PNG
(CHEMBL2347239)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-25-10-11-26(18-29(25)32(22,2)15-17-35(30)21-23-8-9-23)31(36)33-16-14-28-13-12-27(20-34-28)24-6-4-3-5-7-24/h3-7,10-13,18,20,22-23,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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 6.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50431840
PNG
(CHEMBL2347235)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-27-9-10-28(19-29(27)32(22,2)14-18-35(30)21-24-3-4-24)31(36)34-17-11-23-5-7-25(8-6-23)26-12-15-33-16-13-26/h5-10,12-13,15-16,19,22,24,30H,3-4,11,14,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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 6.70n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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 8.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50431838
PNG
(CHEMBL2347237)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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 9.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50431837
PNG
(CHEMBL2347238)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-28(26)32(22,2)15-17-35(30)21-24-8-9-24)31(36)33-16-14-23-10-13-29(34-20-23)25-6-4-3-5-7-25/h3-7,10-13,18,20,22,24,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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 14n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
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 5.60n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431841
PNG
(CHEMBL2347239)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-25-10-11-26(18-29(25)32(22,2)15-17-35(30)21-23-8-9-23)31(36)33-16-14-28-13-12-27(20-34-28)24-6-4-3-5-7-24/h3-7,10-13,18,20,22-23,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431840
PNG
(CHEMBL2347235)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-27-9-10-28(19-29(27)32(22,2)14-18-35(30)21-24-3-4-24)31(36)34-17-11-23-5-7-25(8-6-23)26-12-15-33-16-13-26/h5-10,12-13,15-16,19,22,24,30H,3-4,11,14,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
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 at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 6...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431838
PNG
(CHEMBL2347237)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431837
PNG
(CHEMBL2347238)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-28(26)32(22,2)15-17-35(30)21-24-8-9-24)31(36)33-16-14-23-10-13-29(34-20-23)25-6-4-3-5-7-25/h3-7,10-13,18,20,22,24,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding af...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liq...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
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/an/an/a 2.70n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins b...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50431840
PNG
(CHEMBL2347235)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-27-9-10-28(19-29(27)32(22,2)14-18-35(30)21-24-3-4-24)31(36)34-17-11-23-5-7-25(8-6-23)26-12-15-33-16-13-26/h5-10,12-13,15-16,19,22,24,30H,3-4,11,14,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liq...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50431841
PNG
(CHEMBL2347239)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-25-10-11-26(18-29(25)32(22,2)15-17-35(30)21-23-8-9-23)31(36)33-16-14-28-13-12-27(20-34-28)24-6-4-3-5-7-24/h3-7,10-13,18,20,22-23,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liq...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50431837
PNG
(CHEMBL2347238)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-28(26)32(22,2)15-17-35(30)21-24-8-9-24)31(36)33-16-14-23-10-13-29(34-20-23)25-6-4-3-5-7-25/h3-7,10-13,18,20,22,24,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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n/an/an/an/a 7.80n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liq...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431841
PNG
(CHEMBL2347239)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cn1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-25-10-11-26(18-29(25)32(22,2)15-17-35(30)21-23-8-9-23)31(36)33-16-14-28-13-12-27(20-34-28)24-6-4-3-5-7-24/h3-7,10-13,18,20,22-23,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
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
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
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
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
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
Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
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 cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431840
PNG
(CHEMBL2347235)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccncc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-27-9-10-28(19-29(27)32(22,2)14-18-35(30)21-24-3-4-24)31(36)34-17-11-23-5-7-25(8-6-23)26-12-15-33-16-13-26/h5-10,12-13,15-16,19,22,24,30H,3-4,11,14,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431839
PNG
(CHEMBL2347236)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccnc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-29(26)32(22,2)14-17-35(30)21-24-5-6-24)31(36)34-16-13-23-7-9-25(10-8-23)28-4-3-15-33-20-28/h3-4,7-12,15,18,20,22,24,30H,5-6,13-14,16-17,19,21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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n/an/an/an/a 0.850n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50431838
PNG
(CHEMBL2347237)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liq...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431837
PNG
(CHEMBL2347238)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(nc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-19-26-11-12-27(18-28(26)32(22,2)15-17-35(30)21-24-8-9-24)31(36)33-16-14-23-10-13-29(34-20-23)25-6-4-3-5-7-25/h3-7,10-13,18,20,22,24,30H,8-9,14-17,19,21H2,1-2H3,(H,33,36)/t22-,30?,32-/m0/s1
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n/an/an/an/a 4.5n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50431838
PNG
(CHEMBL2347237)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccn1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C32H37N3O/c1-22-30-20-26-12-13-27(19-28(26)32(22,2)15-18-35(30)21-24-6-7-24)31(36)34-17-14-23-8-10-25(11-9-23)29-5-3-4-16-33-29/h3-5,8-13,16,19,22,24,30H,6-7,14-15,17-18,20-21H2,1-2H3,(H,34,36)/t22-,30?,32-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid...

Bioorg Med Chem Lett 23: 2128-33 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.117
BindingDB Entry DOI: 10.7270/Q2765GQZ
More data for this
Ligand-Target Pair