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PubMed code 19464172

Compile data set for download or QSAR
Found 74 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))
BDBM50268463
PNG
(CHEMBL502411 | c[L-Phe-D-pro-L-Phe-D-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28+,29-,30+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268531
PNG
(CHEMBL499595 | c[L-Ala-D-pro-L-Phe-D-trp])
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C28H31N5O4/c1-17-28(37)33-13-7-12-24(33)27(36)32-22(14-18-8-3-2-4-9-18)26(35)31-23(25(34)30-17)15-19-16-29-21-11-6-5-10-20(19)21/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,34)(H,31,35)(H,32,36)/t17-,22-,23+,24+/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268526
PNG
(CHEMBL506211 | c[L-Phe-D-pro-L-Tyr(OMe)-D-trp])
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1
Show InChI InChI=1S/C35H37N5O5/c1-45-25-15-13-23(14-16-25)18-28-32(41)37-29(20-24-21-36-27-11-6-5-10-26(24)27)33(42)39-30(19-22-8-3-2-4-9-22)35(44)40-17-7-12-31(40)34(43)38-28/h2-6,8-11,13-16,21,28-31,36H,7,12,17-20H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t28-,29+,30-,31+/m0/s1
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14n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268524
PNG
(CHEMBL509201 | c[L-Phe-D-pro-L-mTyr-D-trp])
Show SMILES Oc1cccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)c1
Show InChI InChI=1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-27-31(41)36-28(19-23-20-35-26-13-5-4-12-25(23)26)32(42)38-29(17-21-8-2-1-3-9-21)34(44)39-15-7-14-30(39)33(43)37-27/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268528
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Show SMILES Fc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1
Show InChI InChI=1S/C34H34FN5O4/c35-24-14-12-22(13-15-24)17-27-31(41)37-28(19-23-20-36-26-10-5-4-9-25(23)26)32(42)39-29(18-21-7-2-1-3-8-21)34(44)40-16-6-11-30(40)33(43)38-27/h1-5,7-10,12-15,20,27-30,36H,6,11,16-19H2,(H,37,41)(H,38,43)(H,39,42)/t27-,28+,29-,30+/m0/s1
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21n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268531
PNG
(CHEMBL499595 | c[L-Ala-D-pro-L-Phe-D-trp])
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C28H31N5O4/c1-17-28(37)33-13-7-12-24(33)27(36)32-22(14-18-8-3-2-4-9-18)26(35)31-23(25(34)30-17)15-19-16-29-21-11-6-5-10-20(19)21/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,34)(H,31,35)(H,32,36)/t17-,22-,23+,24+/m0/s1
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22n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268527
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-3-benzyl...)
Show SMILES Fc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1
Show InChI InChI=1S/C34H34FN5O4/c35-24-14-12-22(13-15-24)18-29-34(44)40-16-6-11-30(40)33(43)38-27(17-21-7-2-1-3-8-21)31(41)37-28(32(42)39-29)19-23-20-36-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,36H,6,11,16-19H2,(H,37,41)(H,38,43)(H,39,42)/t27-,28+,29-,30+/m0/s1
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28n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268462
PNG
(CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1
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29n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268463
PNG
(CHEMBL502411 | c[L-Phe-D-pro-L-Phe-D-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28+,29-,30+/m0/s1
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30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268466
PNG
(CHEMBL510506 | c[L-mTyr-D-pro-L-Phe-D-trp])
Show SMILES Oc1cccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)c1
Show InChI InChI=1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-29-34(44)39-15-7-14-30(39)33(43)37-27(17-21-8-2-1-3-9-21)31(41)36-28(32(42)38-29)19-23-20-35-26-13-5-4-12-25(23)26/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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37n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268524
PNG
(CHEMBL509201 | c[L-Phe-D-pro-L-mTyr-D-trp])
Show SMILES Oc1cccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)c1
Show InChI InChI=1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-27-31(41)36-28(19-23-20-35-26-13-5-4-12-25(23)26)32(42)38-29(17-21-8-2-1-3-9-21)34(44)39-15-7-14-30(39)33(43)37-27/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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40n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268526
PNG
(CHEMBL506211 | c[L-Phe-D-pro-L-Tyr(OMe)-D-trp])
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1
Show InChI InChI=1S/C35H37N5O5/c1-45-25-15-13-23(14-16-25)18-28-32(41)37-29(20-24-21-36-27-11-6-5-10-26(24)27)33(42)39-30(19-22-8-3-2-4-9-22)35(44)40-17-7-12-31(40)34(43)38-28/h2-6,8-11,13-16,21,28-31,36H,7,12,17-20H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t28-,29+,30-,31+/m0/s1
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43n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268528
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Show SMILES Fc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1
Show InChI InChI=1S/C34H34FN5O4/c35-24-14-12-22(13-15-24)17-27-31(41)37-28(19-23-20-36-26-10-5-4-9-25(23)26)32(42)39-29(18-21-7-2-1-3-8-21)34(44)40-16-6-11-30(40)33(43)38-27/h1-5,7-10,12-15,20,27-30,36H,6,11,16-19H2,(H,37,41)(H,38,43)(H,39,42)/t27-,28+,29-,30+/m0/s1
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48n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268525
PNG
(CHEMBL507127 | c[L-Tyr(OMe)-D-pro-L-Phe-D-trp])
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1
Show InChI InChI=1S/C35H37N5O5/c1-45-25-15-13-23(14-16-25)19-30-35(44)40-17-7-12-31(40)34(43)38-28(18-22-8-3-2-4-9-22)32(41)37-29(33(42)39-30)20-24-21-36-27-11-6-5-10-26(24)27/h2-6,8-11,13-16,21,28-31,36H,7,12,17-20H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t28-,29+,30-,31+/m0/s1
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66n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268466
PNG
(CHEMBL510506 | c[L-mTyr-D-pro-L-Phe-D-trp])
Show SMILES Oc1cccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)c1
Show InChI InChI=1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-29-34(44)39-15-7-14-30(39)33(43)37-27(17-21-8-2-1-3-9-21)31(41)36-28(32(42)38-29)19-23-20-35-26-13-5-4-12-25(23)26/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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78n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268465
PNG
(CHEMBL486388 | c[L-Phe-D-pro-L-Tyr-D-trp])
Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1
Show InChI InChI=1S/C34H35N5O5/c40-24-14-12-22(13-15-24)17-27-31(41)36-28(19-23-20-35-26-10-5-4-9-25(23)26)32(42)38-29(18-21-7-2-1-3-8-21)34(44)39-16-6-11-30(39)33(43)37-27/h1-5,7-10,12-15,20,27-30,35,40H,6,11,16-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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120n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268462
PNG
(CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1
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130n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268465
PNG
(CHEMBL486388 | c[L-Phe-D-pro-L-Tyr-D-trp])
Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1
Show InChI InChI=1S/C34H35N5O5/c40-24-14-12-22(13-15-24)17-27-31(41)36-28(19-23-20-35-26-10-5-4-9-25(23)26)32(42)38-29(18-21-7-2-1-3-8-21)34(44)39-16-6-11-30(39)33(43)37-27/h1-5,7-10,12-15,20,27-30,35,40H,6,11,16-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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140n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268525
PNG
(CHEMBL507127 | c[L-Tyr(OMe)-D-pro-L-Phe-D-trp])
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1
Show InChI InChI=1S/C35H37N5O5/c1-45-25-15-13-23(14-16-25)19-30-35(44)40-17-7-12-31(40)34(43)38-28(18-22-8-3-2-4-9-22)32(41)37-29(33(42)39-30)20-24-21-36-27-11-6-5-10-26(24)27/h2-6,8-11,13-16,21,28-31,36H,7,12,17-20H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t28-,29+,30-,31+/m0/s1
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170n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268527
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-3-benzyl...)
Show SMILES Fc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1
Show InChI InChI=1S/C34H34FN5O4/c35-24-14-12-22(13-15-24)18-29-34(44)40-16-6-11-30(40)33(43)38-27(17-21-7-2-1-3-8-21)31(41)37-28(32(42)39-29)19-23-20-36-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,36H,6,11,16-19H2,(H,37,41)(H,38,43)(H,39,42)/t27-,28+,29-,30+/m0/s1
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210n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268464
PNG
(CHEMBL506217 | c[L-Tyr-D-pro-L-Phe-D-trp])
Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1
Show InChI InChI=1S/C34H35N5O5/c40-24-14-12-22(13-15-24)18-29-34(44)39-16-6-11-30(39)33(43)37-27(17-21-7-2-1-3-8-21)31(41)36-28(32(42)38-29)19-23-20-35-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,35,40H,6,11,16-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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220n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268582
PNG
((3S,6R,14aR)-6-((1H-indol-3-yl)methyl)-3-benzyldec...)
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N2CCC[C@H]12
Show InChI InChI=1S/C27H29N5O4/c33-24-16-29-25(34)22(14-18-15-28-20-10-5-4-9-19(18)20)30-26(35)21(13-17-7-2-1-3-8-17)31-27(36)23-11-6-12-32(23)24/h1-5,7-10,15,21-23,28H,6,11-14,16H2,(H,29,34)(H,30,35)(H,31,36)/t21-,22+,23+/m0/s1
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270n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268584
PNG
(Ac-D-pro-L-Phe-D-trp-L-Phe-NH2 | CHEMBL450818)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)42-18-10-17-32(42)36(47)41-30(20-25-13-6-3-7-14-25)34(45)40-31(21-26-22-38-28-16-9-8-15-27(26)28)35(46)39-29(33(37)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,46)(H,40,45)(H,41,47)/t29-,30-,31+,32+/m0/s1
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340n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268585
PNG
(Ac-L-Phe-D-trp-L-Phe-D-pro-NH2 | CHEMBL442612)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-29(19-24-11-4-2-5-12-24)34(45)40-30(21-26-22-38-28-16-9-8-15-27(26)28)35(46)41-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)33(37)44/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30+,31-,32+/m0/s1
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360n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268466
PNG
(CHEMBL510506 | c[L-mTyr-D-pro-L-Phe-D-trp])
Show SMILES Oc1cccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)c1
Show InChI InChI=1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-29-34(44)39-15-7-14-30(39)33(43)37-27(17-21-8-2-1-3-9-21)31(41)36-28(32(42)38-29)19-23-20-35-26-13-5-4-12-25(23)26/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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670n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268464
PNG
(CHEMBL506217 | c[L-Tyr-D-pro-L-Phe-D-trp])
Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1
Show InChI InChI=1S/C34H35N5O5/c40-24-14-12-22(13-15-24)18-29-34(44)39-16-6-11-30(39)33(43)37-27(17-21-7-2-1-3-8-21)31(41)36-28(32(42)38-29)19-23-20-35-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,35,40H,6,11,16-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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670n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268582
PNG
((3S,6R,14aR)-6-((1H-indol-3-yl)methyl)-3-benzyldec...)
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N2CCC[C@H]12
Show InChI InChI=1S/C27H29N5O4/c33-24-16-29-25(34)22(14-18-15-28-20-10-5-4-9-19(18)20)30-26(35)21(13-17-7-2-1-3-8-17)31-27(36)23-11-6-12-32(23)24/h1-5,7-10,15,21-23,28H,6,11-14,16H2,(H,29,34)(H,30,35)(H,31,36)/t21-,22+,23+/m0/s1
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770n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268590
PNG
(Ac-L-Trp-L-Phe-D-pro-L-Phe-NH2 | CHEMBL502357)
Show SMILES CC(=O)n1cc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc12
Show InChI InChI=1S/C36H40N6O5/c1-23(43)42-22-26(27-15-8-9-16-31(27)42)21-28(37)34(45)40-30(20-25-13-6-3-7-14-25)36(47)41-18-10-17-32(41)35(46)39-29(33(38)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,28-30,32H,10,17-21,37H2,1H3,(H2,38,44)(H,39,46)(H,40,45)/t28-,29-,30-,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268584
PNG
(Ac-D-pro-L-Phe-D-trp-L-Phe-NH2 | CHEMBL450818)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)42-18-10-17-32(42)36(47)41-30(20-25-13-6-3-7-14-25)34(45)40-31(21-26-22-38-28-16-9-8-15-27(26)28)35(46)39-29(33(37)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,46)(H,40,45)(H,41,47)/t29-,30-,31+,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268586
PNG
(Ac-D-trp-L-Phe-D-pro-L-Phe-NH2 | CHEMBL502609)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-30(21-26-22-38-28-16-9-8-15-27(26)28)34(45)41-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)40-29(33(37)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,46)(H,41,45)/t29-,30+,31-,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50378026
PNG
(CHEMBL1169559)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)41-30(19-24-11-4-2-5-12-24)34(45)40-29(33(37)44)21-26-22-38-28-16-9-8-15-27(26)28/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30-,31-,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268590
PNG
(Ac-L-Trp-L-Phe-D-pro-L-Phe-NH2 | CHEMBL502357)
Show SMILES CC(=O)n1cc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc12
Show InChI InChI=1S/C36H40N6O5/c1-23(43)42-22-26(27-15-8-9-16-31(27)42)21-28(37)34(45)40-30(20-25-13-6-3-7-14-25)36(47)41-18-10-17-32(41)35(46)39-29(33(38)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,28-30,32H,10,17-21,37H2,1H3,(H2,38,44)(H,39,46)(H,40,45)/t28-,29-,30-,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50378026
PNG
(CHEMBL1169559)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)41-30(19-24-11-4-2-5-12-24)34(45)40-29(33(37)44)21-26-22-38-28-16-9-8-15-27(26)28/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30-,31-,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268463
PNG
(CHEMBL502411 | c[L-Phe-D-pro-L-Phe-D-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28+,29-,30+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268530
PNG
((3S,6R,9S,14aR)-3,9-dibenzyl-6-methyldecahydropyrr...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H30N4O4/c1-17-23(31)29-21(16-19-11-6-3-7-12-19)26(34)30-14-8-13-22(30)25(33)28-20(24(32)27-17)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16H2,1H3,(H,27,32)(H,28,33)(H,29,31)/t17-,20+,21+,22-/m1/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268585
PNG
(Ac-L-Phe-D-trp-L-Phe-D-pro-NH2 | CHEMBL442612)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-29(19-24-11-4-2-5-12-24)34(45)40-30(21-26-22-38-28-16-9-8-15-27(26)28)35(46)41-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)33(37)44/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30+,31-,32+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50378026
PNG
(CHEMBL1169559)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)41-30(19-24-11-4-2-5-12-24)34(45)40-29(33(37)44)21-26-22-38-28-16-9-8-15-27(26)28/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30-,31-,32+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268588
PNG
(Ac-D-pro-L-Phe-L-Trp-L-Phe-NH2 | CHEMBL506595)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)42-18-10-17-32(42)36(47)41-30(20-25-13-6-3-7-14-25)34(45)40-31(21-26-22-38-28-16-9-8-15-27(26)28)35(46)39-29(33(37)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,46)(H,40,45)(H,41,47)/t29-,30-,31-,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268588
PNG
(Ac-D-pro-L-Phe-L-Trp-L-Phe-NH2 | CHEMBL506595)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)42-18-10-17-32(42)36(47)41-30(20-25-13-6-3-7-14-25)34(45)40-31(21-26-22-38-28-16-9-8-15-27(26)28)35(46)39-29(33(37)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,46)(H,40,45)(H,41,47)/t29-,30-,31-,32+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268531
PNG
(CHEMBL499595 | c[L-Ala-D-pro-L-Phe-D-trp])
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C28H31N5O4/c1-17-28(37)33-13-7-12-24(33)27(36)32-22(14-18-8-3-2-4-9-18)26(35)31-23(25(34)30-17)15-19-16-29-21-11-6-5-10-20(19)21/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,34)(H,31,35)(H,32,36)/t17-,22-,23+,24+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268529
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Show SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O
Show InChI InChI=1S/C28H31N5O4/c1-17-25(34)31-22(15-19-16-29-21-11-6-5-10-20(19)21)26(35)32-23(14-18-8-3-2-4-9-18)28(37)33-13-7-12-24(33)27(36)30-17/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,36)(H,31,34)(H,32,35)/t17-,22+,23-,24+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268586
PNG
(Ac-D-trp-L-Phe-D-pro-L-Phe-NH2 | CHEMBL502609)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-30(21-26-22-38-28-16-9-8-15-27(26)28)34(45)41-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)40-29(33(37)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,46)(H,41,45)/t29-,30+,31-,32+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268585
PNG
(Ac-L-Phe-D-trp-L-Phe-D-pro-NH2 | CHEMBL442612)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-29(19-24-11-4-2-5-12-24)34(45)40-30(21-26-22-38-28-16-9-8-15-27(26)28)35(46)41-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)33(37)44/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30+,31-,32+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268465
PNG
(CHEMBL486388 | c[L-Phe-D-pro-L-Tyr-D-trp])
Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1
Show InChI InChI=1S/C34H35N5O5/c40-24-14-12-22(13-15-24)17-27-31(41)36-28(19-23-20-35-26-10-5-4-9-25(23)26)32(42)38-29(18-21-7-2-1-3-8-21)34(44)39-16-6-11-30(39)33(43)37-27/h1-5,7-10,12-15,20,27-30,35,40H,6,11,16-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268464
PNG
(CHEMBL506217 | c[L-Tyr-D-pro-L-Phe-D-trp])
Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1
Show InChI InChI=1S/C34H35N5O5/c40-24-14-12-22(13-15-24)18-29-34(44)39-16-6-11-30(39)33(43)37-27(17-21-7-2-1-3-8-21)31(41)36-28(32(42)38-29)19-23-20-35-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,35,40H,6,11,16-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268586
PNG
(Ac-D-trp-L-Phe-D-pro-L-Phe-NH2 | CHEMBL502609)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-30(21-26-22-38-28-16-9-8-15-27(26)28)34(45)41-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)40-29(33(37)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,46)(H,41,45)/t29-,30+,31-,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268528
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Show SMILES Fc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1
Show InChI InChI=1S/C34H34FN5O4/c35-24-14-12-22(13-15-24)17-27-31(41)37-28(19-23-20-36-26-10-5-4-9-25(23)26)32(42)39-29(18-21-7-2-1-3-8-21)34(44)40-16-6-11-30(40)33(43)38-27/h1-5,7-10,12-15,20,27-30,36H,6,11,16-19H2,(H,37,41)(H,38,43)(H,39,42)/t27-,28+,29-,30+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268527
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-3-benzyl...)
Show SMILES Fc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1
Show InChI InChI=1S/C34H34FN5O4/c35-24-14-12-22(13-15-24)18-29-34(44)40-16-6-11-30(40)33(43)38-27(17-21-7-2-1-3-8-21)31(41)37-28(32(42)39-29)19-23-20-36-26-10-5-4-9-25(23)26/h1-5,7-10,12-15,20,27-30,36H,6,11,16-19H2,(H,37,41)(H,38,43)(H,39,42)/t27-,28+,29-,30+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268530
PNG
((3S,6R,9S,14aR)-3,9-dibenzyl-6-methyldecahydropyrr...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H30N4O4/c1-17-23(31)29-21(16-19-11-6-3-7-12-19)26(34)30-14-8-13-22(30)25(33)28-20(24(32)27-17)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16H2,1H3,(H,27,32)(H,28,33)(H,29,31)/t17-,20+,21+,22-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268526
PNG
(CHEMBL506211 | c[L-Phe-D-pro-L-Tyr(OMe)-D-trp])
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1
Show InChI InChI=1S/C35H37N5O5/c1-45-25-15-13-23(14-16-25)18-28-32(41)37-29(20-24-21-36-27-11-6-5-10-26(24)27)33(42)39-30(19-22-8-3-2-4-9-22)35(44)40-17-7-12-31(40)34(43)38-28/h2-6,8-11,13-16,21,28-31,36H,7,12,17-20H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t28-,29+,30-,31+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268584
PNG
(Ac-D-pro-L-Phe-D-trp-L-Phe-NH2 | CHEMBL450818)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)42-18-10-17-32(42)36(47)41-30(20-25-13-6-3-7-14-25)34(45)40-31(21-26-22-38-28-16-9-8-15-27(26)28)35(46)39-29(33(37)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,46)(H,40,45)(H,41,47)/t29-,30-,31+,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268582
PNG
((3S,6R,14aR)-6-((1H-indol-3-yl)methyl)-3-benzyldec...)
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N2CCC[C@H]12
Show InChI InChI=1S/C27H29N5O4/c33-24-16-29-25(34)22(14-18-15-28-20-10-5-4-9-19(18)20)30-26(35)21(13-17-7-2-1-3-8-17)31-27(36)23-11-6-12-32(23)24/h1-5,7-10,15,21-23,28H,6,11-14,16H2,(H,29,34)(H,30,35)(H,31,36)/t21-,22+,23+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268583
PNG
(Ac-L-Phe-D-pro-L-Phe-D-trp-NH2 | CHEMBL503011)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)41-30(19-24-11-4-2-5-12-24)34(45)40-29(33(37)44)21-26-22-38-28-16-9-8-15-27(26)28/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30+,31+,32-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268583
PNG
(Ac-L-Phe-D-pro-L-Phe-D-trp-NH2 | CHEMBL503011)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)41-30(19-24-11-4-2-5-12-24)34(45)40-29(33(37)44)21-26-22-38-28-16-9-8-15-27(26)28/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30+,31+,32-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268589
PNG
(Ac-L-Phe-L-Trp-L-Phe-D-pro-NH2 | CHEMBL499183)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-29(19-24-11-4-2-5-12-24)34(45)40-30(21-26-22-38-28-16-9-8-15-27(26)28)35(46)41-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)33(37)44/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30-,31-,32+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268530
PNG
((3S,6R,9S,14aR)-3,9-dibenzyl-6-methyldecahydropyrr...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H30N4O4/c1-17-23(31)29-21(16-19-11-6-3-7-12-19)26(34)30-14-8-13-22(30)25(33)28-20(24(32)27-17)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16H2,1H3,(H,27,32)(H,28,33)(H,29,31)/t17-,20+,21+,22-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268590
PNG
(Ac-L-Trp-L-Phe-D-pro-L-Phe-NH2 | CHEMBL502357)
Show SMILES CC(=O)n1cc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc12
Show InChI InChI=1S/C36H40N6O5/c1-23(43)42-22-26(27-15-8-9-16-31(27)42)21-28(37)34(45)40-30(20-25-13-6-3-7-14-25)36(47)41-18-10-17-32(41)35(46)39-29(33(38)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,28-30,32H,10,17-21,37H2,1H3,(H2,38,44)(H,39,46)(H,40,45)/t28-,29-,30-,32+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268589
PNG
(Ac-L-Phe-L-Trp-L-Phe-D-pro-NH2 | CHEMBL499183)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-29(19-24-11-4-2-5-12-24)34(45)40-30(21-26-22-38-28-16-9-8-15-27(26)28)35(46)41-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)33(37)44/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30-,31-,32+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268525
PNG
(CHEMBL507127 | c[L-Tyr(OMe)-D-pro-L-Phe-D-trp])
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1
Show InChI InChI=1S/C35H37N5O5/c1-45-25-15-13-23(14-16-25)19-30-35(44)40-17-7-12-31(40)34(43)38-28(18-22-8-3-2-4-9-22)32(41)37-29(33(42)39-30)20-24-21-36-27-11-6-5-10-26(24)27/h2-6,8-11,13-16,21,28-31,36H,7,12,17-20H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t28-,29+,30-,31+/m0/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268583
PNG
(Ac-L-Phe-D-pro-L-Phe-D-trp-NH2 | CHEMBL503011)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)41-30(19-24-11-4-2-5-12-24)34(45)40-29(33(37)44)21-26-22-38-28-16-9-8-15-27(26)28/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30+,31+,32-/m1/s1
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Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268589
PNG
(Ac-L-Phe-L-Trp-L-Phe-D-pro-NH2 | CHEMBL499183)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-29(19-24-11-4-2-5-12-24)34(45)40-30(21-26-22-38-28-16-9-8-15-27(26)28)35(46)41-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)33(37)44/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30-,31-,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268588
PNG
(Ac-D-pro-L-Phe-L-Trp-L-Phe-NH2 | CHEMBL506595)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H40N6O5/c1-23(43)42-18-10-17-32(42)36(47)41-30(20-25-13-6-3-7-14-25)34(45)40-31(21-26-22-38-28-16-9-8-15-27(26)28)35(46)39-29(33(37)44)19-24-11-4-2-5-12-24/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,46)(H,40,45)(H,41,47)/t29-,30-,31-,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268529
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Show SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O
Show InChI InChI=1S/C28H31N5O4/c1-17-25(34)31-22(15-19-16-29-21-11-6-5-10-20(19)21)26(35)32-23(14-18-8-3-2-4-9-18)28(37)33-13-7-12-24(33)27(36)30-17/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,36)(H,31,34)(H,32,35)/t17-,22+,23-,24+/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268462
PNG
(CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268529
PNG
((3S,6R,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Show SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O
Show InChI InChI=1S/C28H31N5O4/c1-17-25(34)31-22(15-19-16-29-21-11-6-5-10-20(19)21)26(35)32-23(14-18-8-3-2-4-9-18)28(37)33-13-7-12-24(33)27(36)30-17/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,36)(H,31,34)(H,32,35)/t17-,22+,23-,24+/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50268524
PNG
(CHEMBL509201 | c[L-Phe-D-pro-L-mTyr-D-trp])
Show SMILES Oc1cccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)c1
Show InChI InChI=1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-27-31(41)36-28(19-23-20-35-26-13-5-4-12-25(23)26)32(42)38-29(17-21-8-2-1-3-9-21)34(44)39-15-7-14-30(39)33(43)37-27/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268531
PNG
(CHEMBL499595 | c[L-Ala-D-pro-L-Phe-D-trp])
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C28H31N5O4/c1-17-28(37)33-13-7-12-24(33)27(36)32-22(14-18-8-3-2-4-9-18)26(35)31-23(25(34)30-17)15-19-16-29-21-11-6-5-10-20(19)21/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,34)(H,31,35)(H,32,36)/t17-,22-,23+,24+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned kappa opioid receptor assessed as inhibition of 50 nM U50488H-stimulated GTPgammaS binding by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268463
PNG
(CHEMBL502411 | c[L-Phe-D-pro-L-Phe-D-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28+,29-,30+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned mu opioid receptor assessed as inhibition of 100 nM loperamide-stimulated GTPgammaS binding by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268462
PNG
(CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned mu opioid receptor assessed as inhibition of 100 nM loperamide-stimulated GTPgammaS binding by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50268462
PNG
(CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50268531
PNG
(CHEMBL499595 | c[L-Ala-D-pro-L-Phe-D-trp])
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C28H31N5O4/c1-17-28(37)33-13-7-12-24(33)27(36)32-22(14-18-8-3-2-4-9-18)26(35)31-23(25(34)30-17)15-19-16-29-21-11-6-5-10-20(19)21/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,34)(H,31,35)(H,32,36)/t17-,22-,23+,24+/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned mu opioid receptor assessed as inhibition of 100 nM loperamide-stimulated GTPgammaS binding by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268463
PNG
(CHEMBL502411 | c[L-Phe-D-pro-L-Phe-D-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28+,29-,30+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned kappa opioid receptor assessed as inhibition of 50 nM U50488H-stimulated GTPgammaS binding by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50268462
PNG
(CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor in guinea pig brain membrane


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50268462
PNG
(CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp])
Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned kappa opioid receptor assessed as inhibition of 50 nM U50488H-stimulated GTPgammaS binding by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%