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PubMed code 21744827

Compile data set for download or QSAR
Found 76 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))
BDBM50350987
PNG
(CHEMBL1818233)
Show SMILES CC1(O)CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC2)CC1
Show InChI InChI=1S/C23H30N2O3S/c1-23(26)12-16-24(17-13-23)18-19-8-10-20(11-9-19)21-6-2-3-7-22(21)29(27,28)25-14-4-5-15-25/h2-3,6-11,26H,4-5,12-18H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.850n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350958
PNG
(CHEMBL1818236)
Show SMILES OCCC1CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC[C@H]2CO)CC1 |r|
Show InChI InChI=1S/C26H36N2O4S/c29-18-14-21-12-16-27(17-13-21)19-22-8-10-23(11-9-22)25-6-1-2-7-26(25)33(31,32)28-15-4-3-5-24(28)20-30/h1-2,6-11,21,24,29-30H,3-5,12-20H2/t24-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350976
PNG
(CHEMBL1818341)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor by GTPgamma S binding assay


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350990
PNG
(CHEMBL1818334)
Show SMILES CC(C)C[C@@]1(CCN(CC2CC2)C1)c1cccc(O)c1 |r|
Show InChI InChI=1S/C18H27NO/c1-14(2)11-18(16-4-3-5-17(20)10-16)8-9-19(13-18)12-15-6-7-15/h3-5,10,14-15,20H,6-9,11-13H2,1-2H3/t18-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor by GTPgamma S binding assay


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350956
PNG
(CHEMBL1818234)
Show SMILES O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cc1 |r|
Show InChI InChI=1S/C24H30N2O2S/c27-29(28,26-14-3-4-15-26)24-9-2-1-8-23(24)21-12-10-19(11-13-21)17-25-18-20-6-5-7-22(25)16-20/h1-2,8-13,20,22H,3-7,14-18H2/t20-,22+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350983
PNG
(CHEMBL1818330)
Show SMILES COC1CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC2)CC1
Show InChI InChI=1S/C23H30N2O3S/c1-28-21-12-16-24(17-13-21)18-19-8-10-20(11-9-19)22-6-2-3-7-23(22)29(26,27)25-14-4-5-15-25/h2-3,6-11,21H,4-5,12-18H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350990
PNG
(CHEMBL1818334)
Show SMILES CC(C)C[C@@]1(CCN(CC2CC2)C1)c1cccc(O)c1 |r|
Show InChI InChI=1S/C18H27NO/c1-14(2)11-18(16-4-3-5-17(20)10-16)8-9-19(13-18)12-15-6-7-15/h3-5,10,14-15,20H,6-9,11-13H2,1-2H3/t18-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor by GTPgamma S binding assay


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350985
PNG
(CHEMBL1818332)
Show SMILES CC1(CNCc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC2)COC1
Show InChI InChI=1S/C22H28N2O3S/c1-22(16-27-17-22)15-23-14-18-8-10-19(11-9-18)20-6-2-3-7-21(20)28(25,26)24-12-4-5-13-24/h2-3,6-11,23H,4-5,12-17H2,1H3
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2.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350976
PNG
(CHEMBL1818341)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350973
PNG
(CHEMBL1818337)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C22H30N2O3S/c1-17(2)14-23-15-19-8-10-20(11-9-19)21-6-4-5-7-22(21)28(25,26)24-12-13-27-16-18(24)3/h4-11,17-18,23H,12-16H2,1-3H3/t18-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350957
PNG
(CHEMBL1818235)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cc1 |r|
Show InChI InChI=1S/C26H34N2O3S/c1-31-19-24-8-5-15-28(24)32(29,30)26-10-3-2-9-25(26)22-13-11-20(12-14-22)17-27-18-21-6-4-7-23(27)16-21/h2-3,9-14,21,23-24H,4-8,15-19H2,1H3/t21-,23+,24+/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350972
PNG
(CHEMBL1818336)
Show SMILES CO[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CNCC(C)C)cc1 |r|
Show InChI InChI=1S/C22H30N2O3S/c1-17(2)15-23-16-18-10-12-19(13-11-18)20-7-4-5-8-21(20)28(25,26)24-14-6-9-22(24)27-3/h4-5,7-8,10-13,17,22-23H,6,9,14-16H2,1-3H3/t22-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350984
PNG
(CHEMBL1818331)
Show SMILES CN(C)CCNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C21H29N3O2S/c1-23(2)16-13-22-17-18-9-11-19(12-10-18)20-7-3-4-8-21(20)27(25,26)24-14-5-6-15-24/h3-4,7-12,22H,5-6,13-17H2,1-2H3
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5.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350974
PNG
(CHEMBL1818339)
Show SMILES CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCCC2)cc1
Show InChI InChI=1S/C22H30N2O2S/c1-17(2)24(3)27(25,26)22-11-7-6-10-21(22)19-14-12-18(13-15-19)16-23-20-8-4-5-9-20/h6-7,10-15,17,20,23H,4-5,8-9,16H2,1-3H3
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7.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350971
PNG
(CHEMBL1818232)
Show SMILES CC(C)(C)CCNCc1ccc(cc1)-c1cccnc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C22H31N3O2S/c1-22(2,3)12-14-23-17-18-8-10-19(11-9-18)20-7-6-13-24-21(20)28(26,27)25-15-4-5-16-25/h6-11,13,23H,4-5,12,14-17H2,1-3H3
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8.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350982
PNG
(CHEMBL1818329)
Show SMILES COC[C@H](C)NCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1 |r|
Show InChI InChI=1S/C21H28N2O3S/c1-17(16-26-2)22-15-18-9-11-19(12-10-18)20-7-3-4-8-21(20)27(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3/t17-/m0/s1
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8.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350961
PNG
(CHEMBL1818325)
Show SMILES OCCC1CCN(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C25H33FN2O3S/c26-24-18-21(8-9-22(24)19-27-15-10-20(11-16-27)12-17-29)23-6-2-3-7-25(23)32(30,31)28-13-4-1-5-14-28/h2-3,6-9,18,20,29H,1,4-5,10-17,19H2
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8.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350991
PNG
(CHEMBL1818335)
Show SMILES O[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C27H30N2O3S/c30-25-18-22-8-2-3-10-24(22)27(25)28-19-20-12-14-21(15-13-20)23-9-4-5-11-26(23)33(31,32)29-16-6-1-7-17-29/h2-5,8-15,25,27-28,30H,1,6-7,16-19H2/t25-,27+/m1/s1
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor by GTPgamma S binding assay


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350960
PNG
(CHEMBL1818324)
Show SMILES CC(C)CNCc1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C22H29FN2O3S/c1-16(2)13-24-14-19-9-8-18(12-21(19)23)20-6-4-5-7-22(20)29(26,27)25-10-11-28-15-17(25)3/h4-9,12,16-17,24H,10-11,13-15H2,1-3H3/t17-/m1/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350975
PNG
(CHEMBL1818340)
Show SMILES CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C22H30N2O2S/c1-18(2)23(3)27(25,26)22-10-6-5-9-21(22)20-13-11-19(12-14-20)17-24-15-7-4-8-16-24/h5-6,9-14,18H,4,7-8,15-17H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350981
PNG
(CHEMBL1818328)
Show SMILES O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CNC2CCOCC2)cc1
Show InChI InChI=1S/C22H28N2O3S/c25-28(26,24-13-3-4-14-24)22-6-2-1-5-21(22)19-9-7-18(8-10-19)17-23-20-11-15-27-16-12-20/h1-2,5-10,20,23H,3-4,11-17H2
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350986
PNG
(CHEMBL1818333)
Show SMILES C[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1ccc(CN2CCN(C)CC2)cc1 |r|
Show InChI InChI=1S/C23H31N3O3S/c1-19-18-29-16-15-26(19)30(27,28)23-6-4-3-5-22(23)21-9-7-20(8-10-21)17-25-13-11-24(2)12-14-25/h3-10,19H,11-18H2,1-2H3/t19-/m1/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350980
PNG
(CHEMBL1818327)
Show SMILES C[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1ccc(CNC2CCOCC2)cc1 |r|
Show InChI InChI=1S/C23H30N2O4S/c1-18-17-29-15-12-25(18)30(26,27)23-5-3-2-4-22(23)20-8-6-19(7-9-20)16-24-21-10-13-28-14-11-21/h2-9,18,21,24H,10-17H2,1H3/t18-/m1/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350991
PNG
(CHEMBL1818335)
Show SMILES O[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C27H30N2O3S/c30-25-18-22-8-2-3-10-24(22)27(25)28-19-20-12-14-21(15-13-20)23-9-4-5-11-26(23)33(31,32)29-16-6-1-7-17-29/h2-5,8-15,25,27-28,30H,1,6-7,16-19H2/t25-,27+/m1/s1
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21n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor by GTPgamma S binding assay


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350977
PNG
(CHEMBL1818342)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCC(F)(F)C1
Show InChI InChI=1S/C21H26F2N2O2S/c1-16(2)13-24-14-17-7-9-18(10-8-17)19-5-3-4-6-20(19)28(26,27)25-12-11-21(22,23)15-25/h3-10,16,24H,11-15H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350965
PNG
(CHEMBL1818226)
Show SMILES O=S(=O)(N1CCCC1)c1cccnc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cc1 |r|
Show InChI InChI=1S/C23H29N3O2S/c27-29(28,26-13-1-2-14-26)22-7-4-12-24-23(22)20-10-8-18(9-11-20)16-25-17-19-5-3-6-21(25)15-19/h4,7-12,19,21H,1-3,5-6,13-17H2/t19-,21+/m1/s1
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26n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350958
PNG
(CHEMBL1818236)
Show SMILES OCCC1CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC[C@H]2CO)CC1 |r|
Show InChI InChI=1S/C26H36N2O4S/c29-18-14-21-12-16-27(17-13-21)19-22-8-10-23(11-9-22)25-6-1-2-7-26(25)33(31,32)28-15-4-3-5-24(28)20-30/h1-2,6-11,21,24,29-30H,3-5,12-20H2/t24-/m0/s1
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350979
PNG
(CHEMBL1818326)
Show SMILES FC1(F)CCN(C1)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCOCC2)cc1
Show InChI InChI=1S/C22H26F2N2O3S/c23-22(24)11-12-26(16-22)30(27,28)21-4-2-1-3-20(21)18-7-5-17(6-8-18)15-25-19-9-13-29-14-10-19/h1-8,19,25H,9-16H2
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33n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350971
PNG
(CHEMBL1818232)
Show SMILES CC(C)(C)CCNCc1ccc(cc1)-c1cccnc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C22H31N3O2S/c1-22(2,3)12-14-23-17-18-8-10-19(11-9-18)20-7-6-13-24-21(20)28(26,27)25-15-4-5-16-25/h6-11,13,23H,4-5,12,14-17H2,1-3H3
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39n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350970
PNG
(CHEMBL1818231)
Show SMILES O=S(=O)(N1CCCC1)c1ncccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cc1 |r|
Show InChI InChI=1S/C23H29N3O2S/c27-29(28,26-13-1-2-14-26)23-22(7-4-12-24-23)20-10-8-18(9-11-20)16-25-17-19-5-3-6-21(25)15-19/h4,7-12,19,21H,1-3,5-6,13-17H2/t19-,21+/m1/s1
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53n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350969
PNG
(CHEMBL1818230)
Show SMILES CC(C)CNCc1ccc(cc1)-c1cccnc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)14-21-15-17-7-9-18(10-8-17)19-6-5-11-22-20(19)26(24,25)23-12-3-4-13-23/h5-11,16,21H,3-4,12-15H2,1-2H3
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54n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350988
PNG
(CHEMBL1818237)
Show SMILES CC(C)CNCc1ccc(cn1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)13-21-15-18-10-9-17(14-22-18)19-7-3-4-8-20(19)26(24,25)23-11-5-6-12-23/h3-4,7-10,14,16,21H,5-6,11-13,15H2,1-2H3
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54n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350989
PNG
(CHEMBL1818338)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(C)C
Show InChI InChI=1S/C20H28N2O2S/c1-15(2)13-21-14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)25(23,24)22-16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3
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62n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350976
PNG
(CHEMBL1818341)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3
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64n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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65n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350964
PNG
(CHEMBL1818225)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ncccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)14-21-15-17-7-9-18(10-8-17)20-19(6-5-11-22-20)26(24,25)23-12-3-4-13-23/h5-11,16,21H,3-4,12-15H2,1-2H3
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66n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350956
PNG
(CHEMBL1818234)
Show SMILES O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cc1 |r|
Show InChI InChI=1S/C24H30N2O2S/c27-29(28,26-14-3-4-15-26)24-9-2-1-8-23(24)21-12-10-19(11-13-21)17-25-18-20-6-5-7-22(25)16-20/h1-2,8-13,20,22H,3-7,14-18H2/t20-,22+/m1/s1
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66n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350981
PNG
(CHEMBL1818328)
Show SMILES O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CNC2CCOCC2)cc1
Show InChI InChI=1S/C22H28N2O3S/c25-28(26,24-13-3-4-14-24)22-6-2-1-5-21(22)19-9-7-18(8-10-19)17-23-20-11-15-27-16-12-20/h1-2,5-10,20,23H,3-4,11-17H2
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70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350959
PNG
(CHEMBL1818238)
Show SMILES O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)nc1 |r|
Show InChI InChI=1S/C23H29N3O2S/c27-29(28,26-12-3-4-13-26)23-9-2-1-8-22(23)19-10-11-20(24-15-19)17-25-16-18-6-5-7-21(25)14-18/h1-2,8-11,15,18,21H,3-7,12-14,16-17H2/t18-,21+/m1/s1
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72n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350978
PNG
(CHEMBL1818222)
Show SMILES CC(C)CN(C)Cc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C22H30N2O2S/c1-18(2)16-23(3)17-19-10-12-20(13-11-19)21-8-4-5-9-22(21)27(25,26)24-14-6-7-15-24/h4-5,8-13,18H,6-7,14-17H2,1-3H3
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75n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350967
PNG
(CHEMBL1818228)
Show SMILES CC(C)(C)CCNCc1ccc(cc1)-c1cnccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C22H31N3O2S/c1-22(2,3)11-13-24-16-18-6-8-19(9-7-18)20-17-23-12-10-21(20)28(26,27)25-14-4-5-15-25/h6-10,12,17,24H,4-5,11,13-16H2,1-3H3
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75n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350963
PNG
(CHEMBL1818224)
Show SMILES O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cn1 |r|
Show InChI InChI=1S/C23H29N3O2S/c27-29(28,26-12-3-4-13-26)23-9-2-1-8-21(23)22-11-10-19(15-24-22)17-25-16-18-6-5-7-20(25)14-18/h1-2,8-11,15,18,20H,3-7,12-14,16-17H2/t18-,20+/m1/s1
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84n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350983
PNG
(CHEMBL1818330)
Show SMILES COC1CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC2)CC1
Show InChI InChI=1S/C23H30N2O3S/c1-28-21-12-16-24(17-13-21)18-19-8-10-20(11-9-19)22-6-2-3-7-23(22)29(26,27)25-14-4-5-15-25/h2-3,6-11,21H,4-5,12-18H2,1H3
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89n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350987
PNG
(CHEMBL1818233)
Show SMILES CC1(O)CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC2)CC1
Show InChI InChI=1S/C23H30N2O3S/c1-23(26)12-16-24(17-13-23)18-19-8-10-20(11-9-19)21-6-2-3-7-22(21)29(27,28)25-14-4-5-15-25/h2-3,6-11,26H,4-5,12-18H2,1H3
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94n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350984
PNG
(CHEMBL1818331)
Show SMILES CN(C)CCNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C21H29N3O2S/c1-23(2)16-13-22-17-18-9-11-19(12-10-18)20-7-3-4-8-21(20)27(25,26)24-14-5-6-15-24/h3-4,7-12,22H,5-6,13-17H2,1-2H3
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101n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350972
PNG
(CHEMBL1818336)
Show SMILES CO[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CNCC(C)C)cc1 |r|
Show InChI InChI=1S/C22H30N2O3S/c1-17(2)15-23-16-18-10-12-19(13-11-18)20-7-4-5-8-21(20)28(25,26)24-14-6-9-22(24)27-3/h4-5,7-8,10-13,17,22-23H,6,9,14-16H2,1-3H3/t22-/m1/s1
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109n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350961
PNG
(CHEMBL1818325)
Show SMILES OCCC1CCN(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C25H33FN2O3S/c26-24-18-21(8-9-22(24)19-27-15-10-20(11-16-27)12-17-29)23-6-2-3-7-25(23)32(30,31)28-13-4-1-5-14-28/h2-3,6-9,18,20,29H,1,4-5,10-17,19H2
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112n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350962
PNG
(CHEMBL1818223)
Show SMILES CC(C)CNCc1ccc(nc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)13-21-14-17-9-10-19(22-15-17)18-7-3-4-8-20(18)26(24,25)23-11-5-6-12-23/h3-4,7-10,15-16,21H,5-6,11-14H2,1-2H3
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157n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350969
PNG
(CHEMBL1818230)
Show SMILES CC(C)CNCc1ccc(cc1)-c1cccnc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)14-21-15-17-7-9-18(10-8-17)19-6-5-11-22-20(19)26(24,25)23-12-3-4-13-23/h5-11,16,21H,3-4,12-15H2,1-2H3
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163n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350985
PNG
(CHEMBL1818332)
Show SMILES CC1(CNCc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC2)COC1
Show InChI InChI=1S/C22H28N2O3S/c1-22(16-27-17-22)15-23-14-18-8-10-19(11-9-18)20-6-2-3-7-21(20)28(25,26)24-12-4-5-13-24/h2-3,6-11,23H,4-5,12-17H2,1H3
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193n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350973
PNG
(CHEMBL1818337)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C22H30N2O3S/c1-17(2)14-23-15-19-8-10-20(11-9-19)21-6-4-5-7-22(21)28(25,26)24-12-13-27-16-18(24)3/h4-11,17-18,23H,12-16H2,1-3H3/t18-/m1/s1
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198n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350957
PNG
(CHEMBL1818235)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cc1 |r|
Show InChI InChI=1S/C26H34N2O3S/c1-31-19-24-8-5-15-28(24)32(29,30)26-10-3-2-9-25(26)22-13-11-20(12-14-22)17-27-18-21-6-4-7-23(27)16-21/h2-3,9-14,21,23-24H,4-8,15-19H2,1H3/t21-,23+,24+/m1/s1
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207n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350968
PNG
(CHEMBL1818229)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccncc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)13-22-14-17-5-7-18(8-6-17)19-9-10-21-15-20(19)26(24,25)23-11-3-4-12-23/h5-10,15-16,22H,3-4,11-14H2,1-2H3
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>222n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350960
PNG
(CHEMBL1818324)
Show SMILES CC(C)CNCc1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C22H29FN2O3S/c1-16(2)13-24-14-19-9-8-18(12-21(19)23)20-6-4-5-7-22(20)29(26,27)25-10-11-28-15-17(25)3/h4-9,12,16-17,24H,10-11,13-15H2,1-3H3/t17-/m1/s1
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378n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350974
PNG
(CHEMBL1818339)
Show SMILES CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCCC2)cc1
Show InChI InChI=1S/C22H30N2O2S/c1-17(2)24(3)27(25,26)22-11-7-6-10-21(22)19-14-12-18(13-15-19)16-23-20-8-4-5-9-20/h6-7,10-15,17,20,23H,4-5,8-9,16H2,1-3H3
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391n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350982
PNG
(CHEMBL1818329)
Show SMILES COC[C@H](C)NCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1 |r|
Show InChI InChI=1S/C21H28N2O3S/c1-17(16-26-2)22-15-18-9-11-19(12-10-18)20-7-3-4-8-21(20)27(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3/t17-/m0/s1
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433n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350989
PNG
(CHEMBL1818338)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(C)C
Show InChI InChI=1S/C20H28N2O2S/c1-15(2)13-21-14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)25(23,24)22-16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3
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508n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350966
PNG
(CHEMBL1818227)
Show SMILES CC(C)CNCc1ccc(cc1)-c1cnccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)13-22-14-17-5-7-18(8-6-17)19-15-21-10-9-20(19)26(24,25)23-11-3-4-12-23/h5-10,15-16,22H,3-4,11-14H2,1-2H3
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584n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350978
PNG
(CHEMBL1818222)
Show SMILES CC(C)CN(C)Cc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C22H30N2O2S/c1-18(2)16-23(3)17-19-10-12-20(13-11-19)21-8-4-5-9-22(21)27(25,26)24-14-6-7-15-24/h4-5,8-13,18H,6-7,14-17H2,1-3H3
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684n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350970
PNG
(CHEMBL1818231)
Show SMILES O=S(=O)(N1CCCC1)c1ncccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cc1 |r|
Show InChI InChI=1S/C23H29N3O2S/c27-29(28,26-13-1-2-14-26)23-22(7-4-12-24-23)20-10-8-18(9-11-20)16-25-17-19-5-3-6-21(25)15-19/h4,7-12,19,21H,1-3,5-6,13-17H2/t19-,21+/m1/s1
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735n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350980
PNG
(CHEMBL1818327)
Show SMILES C[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1ccc(CNC2CCOCC2)cc1 |r|
Show InChI InChI=1S/C23H30N2O4S/c1-18-17-29-15-12-25(18)30(26,27)23-5-3-2-4-22(23)20-8-6-19(7-9-20)16-24-21-10-13-28-14-11-21/h2-9,18,21,24H,10-17H2,1H3/t18-/m1/s1
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740n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350977
PNG
(CHEMBL1818342)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCC(F)(F)C1
Show InChI InChI=1S/C21H26F2N2O2S/c1-16(2)13-24-14-17-7-9-18(10-8-17)19-5-3-4-6-20(19)28(26,27)25-12-11-21(22,23)15-25/h3-10,16,24H,11-15H2,1-2H3
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751n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350962
PNG
(CHEMBL1818223)
Show SMILES CC(C)CNCc1ccc(nc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)13-21-14-17-9-10-19(22-15-17)18-7-3-4-8-20(18)26(24,25)23-11-5-6-12-23/h3-4,7-10,15-16,21H,5-6,11-14H2,1-2H3
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763n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350988
PNG
(CHEMBL1818237)
Show SMILES CC(C)CNCc1ccc(cn1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)13-21-15-18-10-9-17(14-22-18)19-7-3-4-8-20(19)26(24,25)23-11-5-6-12-23/h3-4,7-10,14,16,21H,5-6,11-13,15H2,1-2H3
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932n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350964
PNG
(CHEMBL1818225)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ncccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)14-21-15-17-7-9-18(10-8-17)20-19(6-5-11-22-20)26(24,25)23-12-3-4-13-23/h5-11,16,21H,3-4,12-15H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350979
PNG
(CHEMBL1818326)
Show SMILES FC1(F)CCN(C1)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCOCC2)cc1
Show InChI InChI=1S/C22H26F2N2O3S/c23-22(24)11-12-26(16-22)30(27,28)21-4-2-1-3-20(21)18-7-5-17(6-8-18)15-25-19-9-13-29-14-10-19/h1-8,19,25H,9-16H2
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1.01E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350975
PNG
(CHEMBL1818340)
Show SMILES CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C22H30N2O2S/c1-18(2)23(3)27(25,26)22-10-6-5-9-21(22)20-13-11-19(12-14-20)17-24-15-7-4-8-16-24/h5-6,9-14,18H,4,7-8,15-17H2,1-3H3
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1.26E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350967
PNG
(CHEMBL1818228)
Show SMILES CC(C)(C)CCNCc1ccc(cc1)-c1cnccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C22H31N3O2S/c1-22(2,3)11-13-24-16-18-6-8-19(9-7-18)20-17-23-12-10-21(20)28(26,27)25-14-4-5-15-25/h6-10,12,17,24H,4-5,11,13-16H2,1-3H3
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1.33E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350966
PNG
(CHEMBL1818227)
Show SMILES CC(C)CNCc1ccc(cc1)-c1cnccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)13-22-14-17-5-7-18(8-6-17)19-15-21-10-9-20(19)26(24,25)23-11-3-4-12-23/h5-10,15-16,22H,3-4,11-14H2,1-2H3
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>3.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350968
PNG
(CHEMBL1818229)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccncc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H27N3O2S/c1-16(2)13-22-14-17-5-7-18(8-6-17)19-9-10-21-15-20(19)26(24,25)23-11-3-4-12-23/h5-10,15-16,22H,3-4,11-14H2,1-2H3
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>3.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350986
PNG
(CHEMBL1818333)
Show SMILES C[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1ccc(CN2CCN(C)CC2)cc1 |r|
Show InChI InChI=1S/C23H31N3O3S/c1-19-18-29-16-15-26(19)30(27,28)23-6-4-3-5-22(23)21-9-7-20(8-10-21)17-25-13-11-24(2)12-14-25/h3-10,19H,11-18H2,1-2H3/t19-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350963
PNG
(CHEMBL1818224)
Show SMILES O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cn1 |r|
Show InChI InChI=1S/C23H29N3O2S/c27-29(28,26-12-3-4-13-26)23-9-2-1-8-21(23)22-11-10-19(15-24-22)17-25-16-18-6-5-7-20(25)14-18/h1-2,8-11,15,18,20H,3-7,12-14,16-17H2/t18-,20+/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350965
PNG
(CHEMBL1818226)
Show SMILES O=S(=O)(N1CCCC1)c1cccnc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cc1 |r|
Show InChI InChI=1S/C23H29N3O2S/c27-29(28,26-13-1-2-14-26)22-7-4-12-24-23(22)20-10-8-18(9-11-20)16-25-17-19-5-3-6-21(25)15-19/h4,7-12,19,21H,1-3,5-6,13-17H2/t19-,21+/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350959
PNG
(CHEMBL1818238)
Show SMILES O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)nc1 |r|
Show InChI InChI=1S/C23H29N3O2S/c27-29(28,26-12-3-4-13-26)23-9-2-1-8-22(23)19-10-11-20(24-15-19)17-25-16-18-6-5-7-21(25)14-18/h1-2,8-11,15,18,21H,3-7,12-14,16-17H2/t18-,21+/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)


Article DOI: 10.1021/jm2006035
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%