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PubMed code 20015649

Compile data set for download or QSAR
Found 53 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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306288
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-11-13-22(14-12-21)26(23-7-5-8-24(29)17-23)15-6-16-27(19-26)18-20-9-10-20/h5,7-8,11-14,17,20,29H,3-4,6,9-10,15-16,18-19H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306298
PNG
(CHEMBL595472 | N,N-diethyl-4-(4-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CCc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36N2O2/c1-3-32(4-2)29(34)25-13-15-26(16-14-25)30(27-11-8-12-28(33)23-27)18-21-31(22-19-30)20-17-24-9-6-5-7-10-24/h5-16,23,33H,3-4,17-22H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306293
PNG
(4-(1-((1H-imidazol-2-yl)methyl)-3-(3-hydroxyphenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2ncc[nH]2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H32N4O2/c1-3-30(4-2)25(32)20-9-11-21(12-10-20)26(22-7-5-8-23(31)17-22)13-6-16-29(19-26)18-24-27-14-15-28-24/h5,7-12,14-15,17,31H,3-4,6,13,16,18-19H2,1-2H3,(H,27,28)
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306299
PNG
(CHEMBL595473 | N,N-diethyl-4-(4-(3-hydroxyphenyl)-...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
Show InChI InChI=1S/C28H40N2O2/c1-5-9-22(4)21-29-18-16-28(17-19-29,25-10-8-11-26(31)20-25)24-14-12-23(13-15-24)27(32)30(6-2)7-3/h8,10-15,20,22,31H,5-7,9,16-19,21H2,1-4H3
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1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306297
PNG
(4-(1-allyl-4-(3-hydroxyphenyl)piperidin-4-yl)-N,N-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CC=C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O2/c1-4-16-26-17-14-25(15-18-26,22-8-7-9-23(28)19-22)21-12-10-20(11-13-21)24(29)27(5-2)6-3/h4,7-13,19,28H,1,5-6,14-18H2,2-3H3
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1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306287
PNG
(3-(4-(4-(3-hydroxypentan-3-yl)phenyl)-1-(2-methylp...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(O)(CC)CC)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C29H42N2O2/c1-5-9-22(4)21-31-18-16-28(17-19-31,26-11-8-10-23(20-26)27(30)32)24-12-14-25(15-13-24)29(33,6-2)7-3/h8,10-15,20,22,33H,5-7,9,16-19,21H2,1-4H3,(H2,30,32)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306290
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(C)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O2/c1-3-26(2)24(29)20-10-12-21(13-11-20)25(22-6-4-7-23(28)16-22)14-5-15-27(18-25)17-19-8-9-19/h4,6-7,10-13,16,19,28H,3,5,8-9,14-15,17-18H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306301
PNG
(3-(1-(cyclopropylmethyl)-4-(4-(3-hydroxypentan-3-y...)
Show SMILES CCC(O)(CC)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H36N2O2/c1-3-27(31,4-2)23-12-10-22(11-13-23)26(24-7-5-6-21(18-24)25(28)30)14-16-29(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,31H,3-4,8-9,14-17,19H2,1-2H3,(H2,28,30)
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2.30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306291
PNG
(CHEMBL595714 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC(F)(F)F)C1)c1cccc(O)c1
Show InChI InChI=1S/C24H29F3N2O2/c1-3-29(4-2)22(31)18-9-11-19(12-10-18)23(20-7-5-8-21(30)15-20)13-6-14-28(16-23)17-24(25,26)27/h5,7-12,15,30H,3-4,6,13-14,16-17H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306292
PNG
(CHEMBL605735 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H31N3O2S/c1-3-29(4-2)25(31)20-9-11-21(12-10-20)26(22-7-5-8-23(30)17-22)13-6-15-28(19-26)18-24-27-14-16-32-24/h5,7-12,14,16-17,30H,3-4,6,13,15,18-19H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306289
PNG
(4-(1-butyl-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-...)
Show SMILES CCCCN1CCCC(C1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
Show InChI InChI=1S/C26H36N2O2/c1-4-7-17-27-18-9-16-26(20-27,23-10-8-11-24(29)19-23)22-14-12-21(13-15-22)25(30)28(5-2)6-3/h8,10-15,19,29H,4-7,9,16-18,20H2,1-3H3
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6.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306295
PNG
(4-(3-(3-carbamoylphenyl)-1-(thiazol-2-ylmethyl)pip...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H32N4O2S/c1-3-31(4-2)26(33)20-9-11-22(12-10-20)27(23-8-5-7-21(17-23)25(28)32)13-6-15-30(19-27)18-24-29-14-16-34-24/h5,7-12,14,16-17H,3-4,6,13,15,18-19H2,1-2H3,(H2,28,32)
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306296
PNG
(4-(1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-10-12-22(13-11-21)26(23-6-5-7-24(29)18-23)14-16-27(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,29H,3-4,8-9,14-17,19H2,1-2H3
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306300
PNG
(4-(4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(=O)N(C)C)c1cccc(O)c1
Show InChI InChI=1S/C26H36N2O2/c1-5-7-20(2)19-28-16-14-26(15-17-28,23-8-6-9-24(29)18-23)22-12-10-21(11-13-22)25(30)27(3)4/h6,8-13,18,20,29H,5,7,14-17,19H2,1-4H3
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306288
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-11-13-22(14-12-21)26(23-7-5-8-24(29)17-23)15-6-16-27(19-26)18-20-9-10-20/h5,7-8,11-14,17,20,29H,3-4,6,9-10,15-16,18-19H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306291
PNG
(CHEMBL595714 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC(F)(F)F)C1)c1cccc(O)c1
Show InChI InChI=1S/C24H29F3N2O2/c1-3-29(4-2)22(31)18-9-11-19(12-10-18)23(20-7-5-8-21(30)15-20)13-6-14-28(16-23)17-24(25,26)27/h5,7-12,15,30H,3-4,6,13-14,16-17H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306288
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-11-13-22(14-12-21)26(23-7-5-8-24(29)17-23)15-6-16-27(19-26)18-20-9-10-20/h5,7-8,11-14,17,20,29H,3-4,6,9-10,15-16,18-19H2,1-2H3
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35n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306294
PNG
(3-(1-(cyclopropylmethyl)-3-(4-(2-hydroxypropan-2-y...)
Show SMILES CC(C)(O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C24H31NO2/c1-23(2,27)19-9-11-20(12-10-19)24(21-5-3-6-22(26)15-21)13-4-14-25(17-24)16-18-7-8-18/h3,5-6,9-12,15,18,26-27H,4,7-8,13-14,16-17H2,1-2H3
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39n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306294
PNG
(3-(1-(cyclopropylmethyl)-3-(4-(2-hydroxypropan-2-y...)
Show SMILES CC(C)(O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C24H31NO2/c1-23(2,27)19-9-11-20(12-10-19)24(21-5-3-6-22(26)15-21)13-4-14-25(17-24)16-18-7-8-18/h3,5-6,9-12,15,18,26-27H,4,7-8,13-14,16-17H2,1-2H3
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41n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306287
PNG
(3-(4-(4-(3-hydroxypentan-3-yl)phenyl)-1-(2-methylp...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(O)(CC)CC)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C29H42N2O2/c1-5-9-22(4)21-31-18-16-28(17-19-31,26-11-8-10-23(20-26)27(30)32)24-12-14-25(15-13-24)29(33,6-2)7-3/h8,10-15,20,22,33H,5-7,9,16-19,21H2,1-4H3,(H2,30,32)
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45n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306290
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(C)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O2/c1-3-26(2)24(29)20-10-12-21(13-11-20)25(22-6-4-7-23(28)16-22)14-5-15-27(18-25)17-19-8-9-19/h4,6-7,10-13,16,19,28H,3,5,8-9,14-15,17-18H2,1-2H3
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52n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306290
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(C)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O2/c1-3-26(2)24(29)20-10-12-21(13-11-20)25(22-6-4-7-23(28)16-22)14-5-15-27(18-25)17-19-8-9-19/h4,6-7,10-13,16,19,28H,3,5,8-9,14-15,17-18H2,1-2H3
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66n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306298
PNG
(CHEMBL595472 | N,N-diethyl-4-(4-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CCc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36N2O2/c1-3-32(4-2)29(34)25-13-15-26(16-14-25)30(27-11-8-12-28(33)23-27)18-21-31(22-19-30)20-17-24-9-6-5-7-10-24/h5-16,23,33H,3-4,17-22H2,1-2H3
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67n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306301
PNG
(3-(1-(cyclopropylmethyl)-4-(4-(3-hydroxypentan-3-y...)
Show SMILES CCC(O)(CC)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H36N2O2/c1-3-27(31,4-2)23-12-10-22(11-13-23)26(24-7-5-6-21(18-24)25(28)30)14-16-29(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,31H,3-4,8-9,14-17,19H2,1-2H3,(H2,28,30)
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79n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306298
PNG
(CHEMBL595472 | N,N-diethyl-4-(4-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CCc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36N2O2/c1-3-32(4-2)29(34)25-13-15-26(16-14-25)30(27-11-8-12-28(33)23-27)18-21-31(22-19-30)20-17-24-9-6-5-7-10-24/h5-16,23,33H,3-4,17-22H2,1-2H3
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95n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306294
PNG
(3-(1-(cyclopropylmethyl)-3-(4-(2-hydroxypropan-2-y...)
Show SMILES CC(C)(O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C24H31NO2/c1-23(2,27)19-9-11-20(12-10-19)24(21-5-3-6-22(26)15-21)13-4-14-25(17-24)16-18-7-8-18/h3,5-6,9-12,15,18,26-27H,4,7-8,13-14,16-17H2,1-2H3
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110n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306300
PNG
(4-(4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(=O)N(C)C)c1cccc(O)c1
Show InChI InChI=1S/C26H36N2O2/c1-5-7-20(2)19-28-16-14-26(15-17-28,23-8-6-9-24(29)18-23)22-12-10-21(11-13-22)25(30)27(3)4/h6,8-13,18,20,29H,5,7,14-17,19H2,1-4H3
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150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306292
PNG
(CHEMBL605735 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H31N3O2S/c1-3-29(4-2)25(31)20-9-11-21(12-10-20)26(22-7-5-8-23(30)17-22)13-6-15-28(19-26)18-24-27-14-16-32-24/h5,7-12,14,16-17,30H,3-4,6,13,15,18-19H2,1-2H3
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163n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306297
PNG
(4-(1-allyl-4-(3-hydroxyphenyl)piperidin-4-yl)-N,N-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CC=C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O2/c1-4-16-26-17-14-25(15-18-26,22-8-7-9-23(28)19-22)21-12-10-20(11-13-21)24(29)27(5-2)6-3/h4,7-13,19,28H,1,5-6,14-18H2,2-3H3
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347n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306287
PNG
(3-(4-(4-(3-hydroxypentan-3-yl)phenyl)-1-(2-methylp...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(O)(CC)CC)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C29H42N2O2/c1-5-9-22(4)21-31-18-16-28(17-19-31,26-11-8-10-23(20-26)27(30)32)24-12-14-25(15-13-24)29(33,6-2)7-3/h8,10-15,20,22,33H,5-7,9,16-19,21H2,1-4H3,(H2,30,32)
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380n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306296
PNG
(4-(1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-10-12-22(13-11-21)26(23-6-5-7-24(29)18-23)14-16-27(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,29H,3-4,8-9,14-17,19H2,1-2H3
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440n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306299
PNG
(CHEMBL595473 | N,N-diethyl-4-(4-(3-hydroxyphenyl)-...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
Show InChI InChI=1S/C28H40N2O2/c1-5-9-22(4)21-29-18-16-28(17-19-29,25-10-8-11-26(31)20-25)24-14-12-23(13-15-24)27(32)30(6-2)7-3/h8,10-15,20,22,31H,5-7,9,16-19,21H2,1-4H3
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306301
PNG
(3-(1-(cyclopropylmethyl)-4-(4-(3-hydroxypentan-3-y...)
Show SMILES CCC(O)(CC)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H36N2O2/c1-3-27(31,4-2)23-12-10-22(11-13-23)26(24-7-5-6-21(18-24)25(28)30)14-16-29(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,31H,3-4,8-9,14-17,19H2,1-2H3,(H2,28,30)
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306293
PNG
(4-(1-((1H-imidazol-2-yl)methyl)-3-(3-hydroxyphenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2ncc[nH]2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H32N4O2/c1-3-30(4-2)25(32)20-9-11-21(12-10-20)26(22-7-5-8-23(31)17-22)13-6-16-29(19-26)18-24-27-14-15-28-24/h5,7-12,14-15,17,31H,3-4,6,13,16,18-19H2,1-2H3,(H,27,28)
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306300
PNG
(4-(4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(=O)N(C)C)c1cccc(O)c1
Show InChI InChI=1S/C26H36N2O2/c1-5-7-20(2)19-28-16-14-26(15-17-28,23-8-6-9-24(29)18-23)22-12-10-21(11-13-22)25(30)27(3)4/h6,8-13,18,20,29H,5,7,14-17,19H2,1-4H3
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306295
PNG
(4-(3-(3-carbamoylphenyl)-1-(thiazol-2-ylmethyl)pip...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H32N4O2S/c1-3-31(4-2)26(33)20-9-11-22(12-10-20)27(23-8-5-7-21(17-23)25(28)32)13-6-15-30(19-27)18-24-29-14-16-34-24/h5,7-12,14,16-17H,3-4,6,13,15,18-19H2,1-2H3,(H2,28,32)
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306289
PNG
(4-(1-butyl-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-...)
Show SMILES CCCCN1CCCC(C1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
Show InChI InChI=1S/C26H36N2O2/c1-4-7-17-27-18-9-16-26(20-27,23-10-8-11-24(29)19-23)22-14-12-21(13-15-22)25(30)28(5-2)6-3/h8,10-15,19,29H,4-7,9,16-18,20H2,1-3H3
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306299
PNG
(CHEMBL595473 | N,N-diethyl-4-(4-(3-hydroxyphenyl)-...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
Show InChI InChI=1S/C28H40N2O2/c1-5-9-22(4)21-29-18-16-28(17-19-29,25-10-8-11-26(31)20-25)24-14-12-23(13-15-24)27(32)30(6-2)7-3/h8,10-15,20,22,31H,5-7,9,16-19,21H2,1-4H3
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306296
PNG
(4-(1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-10-12-22(13-11-21)26(23-6-5-7-24(29)18-23)14-16-27(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,29H,3-4,8-9,14-17,19H2,1-2H3
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306295
PNG
(4-(3-(3-carbamoylphenyl)-1-(thiazol-2-ylmethyl)pip...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H32N4O2S/c1-3-31(4-2)26(33)20-9-11-22(12-10-20)27(23-8-5-7-21(17-23)25(28)32)13-6-15-30(19-27)18-24-29-14-16-34-24/h5,7-12,14,16-17H,3-4,6,13,15,18-19H2,1-2H3,(H2,28,32)
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306292
PNG
(CHEMBL605735 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H31N3O2S/c1-3-29(4-2)25(31)20-9-11-21(12-10-20)26(22-7-5-8-23(30)17-22)13-6-15-28(19-26)18-24-27-14-16-32-24/h5,7-12,14,16-17,30H,3-4,6,13,15,18-19H2,1-2H3
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50306293
PNG
(4-(1-((1H-imidazol-2-yl)methyl)-3-(3-hydroxyphenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2ncc[nH]2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H32N4O2/c1-3-30(4-2)25(32)20-9-11-21(12-10-20)26(22-7-5-8-23(31)17-22)13-6-16-29(19-26)18-24-27-14-15-28-24/h5,7-12,14-15,17,31H,3-4,6,13,16,18-19H2,1-2H3,(H,27,28)
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306291
PNG
(CHEMBL595714 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC(F)(F)F)C1)c1cccc(O)c1
Show InChI InChI=1S/C24H29F3N2O2/c1-3-29(4-2)22(31)18-9-11-19(12-10-18)23(20-7-5-8-21(30)15-20)13-6-14-28(16-23)17-24(25,26)27/h5,7-12,15,30H,3-4,6,13-14,16-17H2,1-2H3
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306297
PNG
(4-(1-allyl-4-(3-hydroxyphenyl)piperidin-4-yl)-N,N-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CC=C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O2/c1-4-16-26-17-14-25(15-18-26,22-8-7-9-23(28)19-22)21-12-10-20(11-13-21)24(29)27(5-2)6-3/h4,7-13,19,28H,1,5-6,14-18H2,2-3H3
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50306289
PNG
(4-(1-butyl-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-...)
Show SMILES CCCCN1CCCC(C1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
Show InChI InChI=1S/C26H36N2O2/c1-4-7-17-27-18-9-16-26(20-27,23-10-8-11-24(29)19-23)22-14-12-21(13-15-22)25(30)28(5-2)6-3/h8,10-15,19,29H,4-7,9,16-18,20H2,1-3H3
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>890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306287
PNG
(3-(4-(4-(3-hydroxypentan-3-yl)phenyl)-1-(2-methylp...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(O)(CC)CC)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C29H42N2O2/c1-5-9-22(4)21-31-18-16-28(17-19-31,26-11-8-10-23(20-26)27(30)32)24-12-14-25(15-13-24)29(33,6-2)7-3/h8,10-15,20,22,33H,5-7,9,16-19,21H2,1-4H3,(H2,30,32)
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n/an/a 4.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor by GTPgammaS bunding assay


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306288
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-11-13-22(14-12-21)26(23-7-5-8-24(29)17-23)15-6-16-27(19-26)18-20-9-10-20/h5,7-8,11-14,17,20,29H,3-4,6,9-10,15-16,18-19H2,1-2H3
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n/an/a 7.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor by GTPgammaS bunding assay


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306295
PNG
(4-(3-(3-carbamoylphenyl)-1-(thiazol-2-ylmethyl)pip...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H32N4O2S/c1-3-31(4-2)26(33)20-9-11-22(12-10-20)27(23-8-5-7-21(17-23)25(28)32)13-6-15-30(19-27)18-24-29-14-16-34-24/h5,7-12,14,16-17H,3-4,6,13,15,18-19H2,1-2H3,(H2,28,32)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor by GTPgammaS bunding assay


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306292
PNG
(CHEMBL605735 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H31N3O2S/c1-3-29(4-2)25(31)20-9-11-21(12-10-20)26(22-7-5-8-23(30)17-22)13-6-15-28(19-26)18-24-27-14-16-32-24/h5,7-12,14,16-17,30H,3-4,6,13,15,18-19H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor by GTPgammaS bunding assay


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306289
PNG
(4-(1-butyl-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-...)
Show SMILES CCCCN1CCCC(C1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
Show InChI InChI=1S/C26H36N2O2/c1-4-7-17-27-18-9-16-26(20-27,23-10-8-11-24(29)19-23)22-14-12-21(13-15-22)25(30)28(5-2)6-3/h8,10-15,19,29H,4-7,9,16-18,20H2,1-3H3
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n/an/a 55n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor by GTPgammaS bunding assay


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306300
PNG
(4-(4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(=O)N(C)C)c1cccc(O)c1
Show InChI InChI=1S/C26H36N2O2/c1-5-7-20(2)19-28-16-14-26(15-17-28,23-8-6-9-24(29)18-23)22-12-10-21(11-13-22)25(30)27(3)4/h6,8-13,18,20,29H,5,7,14-17,19H2,1-4H3
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n/an/a 72n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor by GTPgammaS bunding assay


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306296
PNG
(4-(1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-10-12-22(13-11-21)26(23-6-5-7-24(29)18-23)14-16-27(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,29H,3-4,8-9,14-17,19H2,1-2H3
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n/an/a 155n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor by GTPgammaS bunding assay


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306301
PNG
(3-(1-(cyclopropylmethyl)-4-(4-(3-hydroxypentan-3-y...)
Show SMILES CCC(O)(CC)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H36N2O2/c1-3-27(31,4-2)23-12-10-22(11-13-23)26(24-7-5-6-21(18-24)25(28)30)14-16-29(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,31H,3-4,8-9,14-17,19H2,1-2H3,(H2,28,30)
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n/an/a 282n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor by GTPgammaS bunding assay


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%