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PubMed code 21351746

Compile data set for download or QSAR
Found 116 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))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341286
PNG
(CHEMBL1766024 | N'-Methylaminothiazolo[5,4-b]-N-cy...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C22H29N3S/c1-23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-4-2-3-7-22(16,17)8-9-25(19)13-14-5-6-14/h11-12,14,16,19H,2-10,13H2,1H3,(H,23,24)/t16-,19+,22+/m0/s1
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0.0660n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.0790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341287
PNG
(CHEMBL1766025 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C23H31N3S/c1-2-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/m0/s1
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0.151n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50137997
PNG
(3-Amino-N-cyclopropylmethylmorphinan | 3-aminocycl...)
Show SMILES Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H28N2/c21-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-22(19)13-14-4-5-14/h6-7,12,14,17,19H,1-5,8-11,13,21H2/t17-,19+,20+/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341284
PNG
(Aminothiazolo[5,4-b]-N-fluoropropylmorphinan | CHE...)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C20H26FN3S/c21-7-3-8-24-9-6-20-5-2-1-4-14(20)17(24)10-13-11-18-16(12-15(13)20)23-19(22)25-18/h11-12,14,17H,1-10H2,(H2,22,23)/t14-,17+,20+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341298
PNG
(CHEMBL1766036 | N',N'-Dimethyl-aminothiazolo[5,4-b...)
Show SMILES CN(C)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:20:19:8.7.9:11|
Show InChI InChI=1S/C23H31N3S/c1-25(2)22-24-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,3-11,14H2,1-2H3/t17-,20+,23+/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341303
PNG
(CHEMBL1766041 | N'-Methyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C21H28FN3S/c1-23-20-24-17-13-16-14(12-19(17)26-20)11-18-15-5-2-3-6-21(15,16)7-10-25(18)9-4-8-22/h12-13,15,18H,2-11H2,1H3,(H,23,24)/t15-,18+,21+/m0/s1
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0.710n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50210552
PNG
(CHEMBL390866 | MCL-183)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16-,19+,22+/m0/s1
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0.790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341285
PNG
(Aminothiazolo[5,4-b]-N-(S)-tetrahydrofurylmethylmo...)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4C[C@@H]3CCCO3)cc2s1 |r|
Show InChI InChI=1S/C22H29N3OS/c23-21-24-18-12-17-14(11-20(18)27-21)10-19-16-5-1-2-6-22(16,17)7-8-25(19)13-15-4-3-9-26-15/h11-12,15-16,19H,1-10,13H2,(H2,23,24)/t15-,16-,19+,22+/m0/s1
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0.830n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341288
PNG
(CHEMBL1766026 | N'-Trifluoroethyl-aminothiazolo[5,...)
Show SMILES FC(F)(F)CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C23H28F3N3S/c24-23(25,26)13-27-21-28-18-11-17-15(10-20(18)30-21)9-19-16-3-1-2-6-22(16,17)7-8-29(19)12-14-4-5-14/h10-11,14,16,19H,1-9,12-13H2,(H,27,28)/t16-,19+,22+/m0/s1
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0.840n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341305
PNG
(CHEMBL1766043 | N'-Ethyl-aminothiazolo[5,4-b]-N-fl...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C22H30FN3S/c1-2-24-21-25-18-14-17-15(13-20(18)27-21)12-19-16-6-3-4-7-22(16,17)8-11-26(19)10-5-9-23/h13-14,16,19H,2-12H2,1H3,(H,24,25)/t16-,19+,22+/m0/s1
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0.940n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341308
PNG
(CHEMBL1766021 | N-methyl-3-aminothiazolo-morphinan)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(N)nc2cc31 |r,TLB:0:1:12.21.11:9|
Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12-,15+,18+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341302
PNG
(CHEMBL1766040 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r|
Show InChI InChI=1S/C24H33N3S/c1-2-25-23-26-20-14-19-17(13-22(20)28-23)12-21-18-8-3-4-9-24(18,19)10-11-27(21)15-16-6-5-7-16/h13-14,16,18,21H,2-12,15H2,1H3,(H,25,26)/t18-,21+,24+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341304
PNG
(CHEMBL1766042 | N'-Acetyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C22H28FN3OS/c1-14(27)24-21-25-18-13-17-15(12-20(18)28-21)11-19-16-5-2-3-6-22(16,17)7-10-26(19)9-4-8-23/h12-13,16,19H,2-11H2,1H3,(H,24,25,27)/t16-,19+,22+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50137997
PNG
(3-Amino-N-cyclopropylmethylmorphinan | 3-aminocycl...)
Show SMILES Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H28N2/c21-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-22(19)13-14-4-5-14/h6-7,12,14,17,19H,1-5,8-11,13,21H2/t17-,19+,20+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341289
PNG
(CHEMBL1766027 | N'-Propyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES CCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C24H33N3S/c1-2-10-25-23-26-20-14-19-17(13-22(20)28-23)12-21-18-5-3-4-8-24(18,19)9-11-27(21)15-16-6-7-16/h13-14,16,18,21H,2-12,15H2,1H3,(H,25,26)/t18-,21+,24+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341301
PNG
(CHEMBL1766039 | N'-Methyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r|
Show InChI InChI=1S/C23H31N3S/c1-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-7-2-3-8-23(17,18)9-10-26(20)14-15-5-4-6-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341292
PNG
(CHEMBL1766030 | N'-Benzyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES C(Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)c1ccccc1 |r,THB:19:18:7.6.8:10|
Show InChI InChI=1S/C28H33N3S/c1-2-6-19(7-3-1)17-29-27-30-24-16-23-21(15-26(24)32-27)14-25-22-8-4-5-11-28(22,23)12-13-31(25)18-20-9-10-20/h1-3,6-7,15-16,20,22,25H,4-5,8-14,17-18H2,(H,29,30)/t22-,25+,28+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341301
PNG
(CHEMBL1766039 | N'-Methyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r|
Show InChI InChI=1S/C23H31N3S/c1-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-7-2-3-8-23(17,18)9-10-26(20)14-15-5-4-6-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341285
PNG
(Aminothiazolo[5,4-b]-N-(S)-tetrahydrofurylmethylmo...)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4C[C@@H]3CCCO3)cc2s1 |r|
Show InChI InChI=1S/C22H29N3OS/c23-21-24-18-12-17-14(11-20(18)27-21)10-19-16-5-1-2-6-22(16,17)7-8-25(19)13-15-4-3-9-26-15/h11-12,15-16,19H,1-10,13H2,(H2,23,24)/t15-,16-,19+,22+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341284
PNG
(Aminothiazolo[5,4-b]-N-fluoropropylmorphinan | CHE...)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C20H26FN3S/c21-7-3-8-24-9-6-20-5-2-1-4-14(20)17(24)10-13-11-18-16(12-15(13)20)23-19(22)25-18/h11-12,14,17H,1-10H2,(H2,22,23)/t14-,17+,20+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341286
PNG
(CHEMBL1766024 | N'-Methylaminothiazolo[5,4-b]-N-cy...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C22H29N3S/c1-23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-4-2-3-7-22(16,17)8-9-25(19)13-14-5-6-14/h11-12,14,16,19H,2-10,13H2,1H3,(H,23,24)/t16-,19+,22+/m0/s1
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3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341294
PNG
(CHEMBL1766032 | N'-(3-Hydroxybenzyl)-aminothiazolo...)
Show SMILES Oc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1 |r,THB:25:24:13.12.14:16|
Show InChI InChI=1S/C28H33N3OS/c32-21-5-3-4-19(12-21)16-29-27-30-24-15-23-20(14-26(24)33-27)13-25-22-6-1-2-9-28(22,23)10-11-31(25)17-18-7-8-18/h3-5,12,14-15,18,22,25,32H,1-2,6-11,13,16-17H2,(H,29,30)/t22-,25+,28+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341302
PNG
(CHEMBL1766040 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r|
Show InChI InChI=1S/C24H33N3S/c1-2-25-23-26-20-14-19-17(13-22(20)28-23)12-21-18-8-3-4-9-24(18,19)10-11-27(21)15-16-6-5-7-16/h13-14,16,18,21H,2-12,15H2,1H3,(H,25,26)/t18-,21+,24+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341305
PNG
(CHEMBL1766043 | N'-Ethyl-aminothiazolo[5,4-b]-N-fl...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C22H30FN3S/c1-2-24-21-25-18-14-17-15(13-20(18)27-21)12-19-16-6-3-4-7-22(16,17)8-11-26(19)10-5-9-23/h13-14,16,19H,2-12H2,1H3,(H,24,25)/t16-,19+,22+/m0/s1
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4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341287
PNG
(CHEMBL1766025 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C23H31N3S/c1-2-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341293
PNG
(CHEMBL1766031 | N'-(3-Methoxybenzyl)-aminothiazolo...)
Show SMILES COc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1 |r,THB:26:25:14.13.15:17|
Show InChI InChI=1S/C29H35N3OS/c1-33-22-6-4-5-20(13-22)17-30-28-31-25-16-24-21(15-27(25)34-28)14-26-23-7-2-3-10-29(23,24)11-12-32(26)18-19-8-9-19/h4-6,13,15-16,19,23,26H,2-3,7-12,14,17-18H2,1H3,(H,30,31)/t23-,26+,29+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341306
PNG
(CHEMBL1766044 | N'-Propyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C23H32FN3S/c1-2-10-25-22-26-19-15-18-16(14-21(19)28-22)13-20-17-6-3-4-7-23(17,18)8-12-27(20)11-5-9-24/h14-15,17,20H,2-13H2,1H3,(H,25,26)/t17-,20+,23+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341308
PNG
(CHEMBL1766021 | N-methyl-3-aminothiazolo-morphinan)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(N)nc2cc31 |r,TLB:0:1:12.21.11:9|
Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12-,15+,18+/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341299
PNG
(CHEMBL1766037 | N'-Acetyl-N'-methyl-aminothiazolo[...)
Show SMILES CN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C24H31N3OS/c1-15(28)26(2)23-25-20-13-19-17(12-22(20)29-23)11-21-18-5-3-4-8-24(18,19)9-10-27(21)14-16-6-7-16/h12-13,16,18,21H,3-11,14H2,1-2H3/t18-,21+,24+/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210552
PNG
(CHEMBL390866 | MCL-183)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16-,19+,22+/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341303
PNG
(CHEMBL1766041 | N'-Methyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C21H28FN3S/c1-23-20-24-17-13-16-14(12-19(17)26-20)11-18-15-5-2-3-6-21(15,16)7-10-25(18)9-4-8-22/h12-13,15,18H,2-11H2,1H3,(H,23,24)/t15-,18+,21+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341293
PNG
(CHEMBL1766031 | N'-(3-Methoxybenzyl)-aminothiazolo...)
Show SMILES COc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1 |r,THB:26:25:14.13.15:17|
Show InChI InChI=1S/C29H35N3OS/c1-33-22-6-4-5-20(13-22)17-30-28-31-25-16-24-21(15-27(25)34-28)14-26-23-7-2-3-10-29(23,24)11-12-32(26)18-19-8-9-19/h4-6,13,15-16,19,23,26H,2-3,7-12,14,17-18H2,1H3,(H,30,31)/t23-,26+,29+/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341294
PNG
(CHEMBL1766032 | N'-(3-Hydroxybenzyl)-aminothiazolo...)
Show SMILES Oc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1 |r,THB:25:24:13.12.14:16|
Show InChI InChI=1S/C28H33N3OS/c32-21-5-3-4-19(12-21)16-29-27-30-24-15-23-20(14-26(24)33-27)13-25-22-6-1-2-9-28(22,23)10-11-31(25)17-18-7-8-18/h3-5,12,14-15,18,22,25,32H,1-2,6-11,13,16-17H2,(H,29,30)/t22-,25+,28+/m0/s1
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9.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341298
PNG
(CHEMBL1766036 | N',N'-Dimethyl-aminothiazolo[5,4-b...)
Show SMILES CN(C)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:20:19:8.7.9:11|
Show InChI InChI=1S/C23H31N3S/c1-25(2)22-24-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,3-11,14H2,1-2H3/t17-,20+,23+/m0/s1
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10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341292
PNG
(CHEMBL1766030 | N'-Benzyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES C(Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)c1ccccc1 |r,THB:19:18:7.6.8:10|
Show InChI InChI=1S/C28H33N3S/c1-2-6-19(7-3-1)17-29-27-30-24-16-23-21(15-26(24)32-27)14-25-22-8-4-5-11-28(22,23)12-13-31(25)18-20-9-10-20/h1-3,6-7,15-16,20,22,25H,4-5,8-14,17-18H2,(H,29,30)/t22-,25+,28+/m0/s1
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10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341307
PNG
(CHEMBL1766045 | N',N'-Dimethyl-aminothiazolo[5,4-b...)
Show SMILES CN(C)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C22H30FN3S/c1-25(2)21-24-18-14-17-15(13-20(18)27-21)12-19-16-6-3-4-7-22(16,17)8-11-26(19)10-5-9-23/h13-14,16,19H,3-12H2,1-2H3/t16-,19+,22+/m0/s1
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11n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341290
PNG
(CHEMBL1766028 | N'-Acetyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES CC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C23H29N3OS/c1-14(27)24-22-25-19-12-18-16(11-21(19)28-22)10-20-17-4-2-3-7-23(17,18)8-9-26(20)13-15-5-6-15/h11-12,15,17,20H,2-10,13H2,1H3,(H,24,25,27)/t17-,20+,23+/m0/s1
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13n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341300
PNG
(CHEMBL1766038 | N'-Acetyl-N'-ethyl-amino-thiazolo[...)
Show SMILES CCN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C25H33N3OS/c1-3-28(16(2)29)24-26-21-14-20-18(13-23(21)30-24)12-22-19-6-4-5-9-25(19,20)10-11-27(22)15-17-7-8-17/h13-14,17,19,22H,3-12,15H2,1-2H3/t19-,22+,25+/m0/s1
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13n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341304
PNG
(CHEMBL1766042 | N'-Acetyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C22H28FN3OS/c1-14(27)24-21-25-18-13-17-15(12-20(18)28-21)11-19-16-5-2-3-6-22(16,17)7-10-26(19)9-4-8-23/h12-13,16,19H,2-11H2,1H3,(H,24,25,27)/t16-,19+,22+/m0/s1
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15n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341289
PNG
(CHEMBL1766027 | N'-Propyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES CCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C24H33N3S/c1-2-10-25-23-26-20-14-19-17(13-22(20)28-23)12-21-18-5-3-4-8-24(18,19)9-11-27(21)15-16-6-7-16/h13-14,16,18,21H,2-12,15H2,1H3,(H,25,26)/t18-,21+,24+/m0/s1
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17n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341295
PNG
(CHEMBL1766033 | N'-Ethylthiourea-thiazolo[5,4-b]-N...)
Show SMILES CCNC(=S)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C24H32N4S2/c1-2-25-22(29)27-23-26-19-13-18-16(12-21(19)30-23)11-20-17-5-3-4-8-24(17,18)9-10-28(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H2,25,26,27,29)/t17-,20+,24+/m0/s1
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18n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341288
PNG
(CHEMBL1766026 | N'-Trifluoroethyl-aminothiazolo[5,...)
Show SMILES FC(F)(F)CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C23H28F3N3S/c24-23(25,26)13-27-21-28-18-11-17-15(10-20(18)30-21)9-19-16-3-1-2-6-22(16,17)7-8-29(19)12-14-4-5-14/h10-11,14,16,19H,1-9,12-13H2,(H,27,28)/t16-,19+,22+/m0/s1
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21n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341291
PNG
(CHEMBL1766029 | N'-Phenyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(Nc4ccccc4)nc2cc31 |r,TLB:0:4:15.30.14:12|
Show InChI InChI=1S/C27H31N3S/c1-2-6-20(7-3-1)28-26-29-23-16-22-19(15-25(23)31-26)14-24-21-8-4-5-11-27(21,22)12-13-30(24)17-18-9-10-18/h1-3,6-7,15-16,18,21,24H,4-5,8-14,17H2,(H,28,29)/t21-,24+,27+/m0/s1
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21n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341306
PNG
(CHEMBL1766044 | N'-Propyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C23H32FN3S/c1-2-10-25-22-26-19-15-18-16(14-21(19)28-22)13-20-17-6-3-4-7-23(17,18)8-12-27(20)11-5-9-24/h14-15,17,20H,2-13H2,1H3,(H,25,26)/t17-,20+,23+/m0/s1
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24n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341286
PNG
(CHEMBL1766024 | N'-Methylaminothiazolo[5,4-b]-N-cy...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C22H29N3S/c1-23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-4-2-3-7-22(16,17)8-9-25(19)13-14-5-6-14/h11-12,14,16,19H,2-10,13H2,1H3,(H,23,24)/t16-,19+,22+/m0/s1
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25n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
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29n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341294
PNG
(CHEMBL1766032 | N'-(3-Hydroxybenzyl)-aminothiazolo...)
Show SMILES Oc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1 |r,THB:25:24:13.12.14:16|
Show InChI InChI=1S/C28H33N3OS/c32-21-5-3-4-19(12-21)16-29-27-30-24-15-23-20(14-26(24)33-27)13-25-22-6-1-2-9-28(22,23)10-11-31(25)17-18-7-8-18/h3-5,12,14-15,18,22,25,32H,1-2,6-11,13,16-17H2,(H,29,30)/t22-,25+,28+/m0/s1
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29n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341293
PNG
(CHEMBL1766031 | N'-(3-Methoxybenzyl)-aminothiazolo...)
Show SMILES COc1cccc(CNc2nc3cc4c(C[C@@H]5[C@@H]6CCCC[C@]46CCN5CC4CC4)cc3s2)c1 |r,THB:26:25:14.13.15:17|
Show InChI InChI=1S/C29H35N3OS/c1-33-22-6-4-5-20(13-22)17-30-28-31-25-16-24-21(15-27(25)34-28)14-26-23-7-2-3-10-29(23,24)11-12-32(26)18-19-8-9-19/h4-6,13,15-16,19,23,26H,2-3,7-12,14,17-18H2,1H3,(H,30,31)/t23-,26+,29+/m0/s1
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34n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341292
PNG
(CHEMBL1766030 | N'-Benzyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES C(Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)c1ccccc1 |r,THB:19:18:7.6.8:10|
Show InChI InChI=1S/C28H33N3S/c1-2-6-19(7-3-1)17-29-27-30-24-16-23-21(15-26(24)32-27)14-25-22-8-4-5-11-28(22,23)12-13-31(25)18-20-9-10-20/h1-3,6-7,15-16,20,22,25H,4-5,8-14,17-18H2,(H,29,30)/t22-,25+,28+/m0/s1
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41n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341287
PNG
(CHEMBL1766025 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C23H31N3S/c1-2-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/m0/s1
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43n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341301
PNG
(CHEMBL1766039 | N'-Methyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r|
Show InChI InChI=1S/C23H31N3S/c1-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-7-2-3-8-23(17,18)9-10-26(20)14-15-5-4-6-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/m0/s1
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47n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341303
PNG
(CHEMBL1766041 | N'-Methyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C21H28FN3S/c1-23-20-24-17-13-16-14(12-19(17)26-20)11-18-15-5-2-3-6-21(15,16)7-10-25(18)9-4-8-22/h12-13,15,18H,2-11H2,1H3,(H,23,24)/t15-,18+,21+/m0/s1
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50n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50210551
PNG
(2'-amino oxazole[5,4-b]-N-cyclopropylmethylmorphin...)
Show SMILES Nc1nc2cc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3cc2o1 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C21H27N3O/c22-20-23-17-9-14-10-18-15-3-1-2-6-21(15,16(14)11-19(17)25-20)7-8-24(18)12-13-4-5-13/h9,11,13,15,18H,1-8,10,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
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52n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341284
PNG
(Aminothiazolo[5,4-b]-N-fluoropropylmorphinan | CHE...)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C20H26FN3S/c21-7-3-8-24-9-6-20-5-2-1-4-14(20)17(24)10-13-11-18-16(12-15(13)20)23-19(22)25-18/h11-12,14,17H,1-10H2,(H2,22,23)/t14-,17+,20+/m0/s1
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54n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341285
PNG
(Aminothiazolo[5,4-b]-N-(S)-tetrahydrofurylmethylmo...)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4C[C@@H]3CCCO3)cc2s1 |r|
Show InChI InChI=1S/C22H29N3OS/c23-21-24-18-12-17-14(11-20(18)27-21)10-19-16-5-1-2-6-22(16,17)7-8-25(19)13-15-4-3-9-26-15/h11-12,15-16,19H,1-10,13H2,(H2,23,24)/t15-,16-,19+,22+/m0/s1
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56n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341290
PNG
(CHEMBL1766028 | N'-Acetyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES CC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C23H29N3OS/c1-14(27)24-22-25-19-12-18-16(11-21(19)28-22)10-20-17-4-2-3-7-23(17,18)8-9-26(20)13-15-5-6-15/h11-12,15,17,20H,2-10,13H2,1H3,(H,24,25,27)/t17-,20+,23+/m0/s1
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57n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341298
PNG
(CHEMBL1766036 | N',N'-Dimethyl-aminothiazolo[5,4-b...)
Show SMILES CN(C)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:20:19:8.7.9:11|
Show InChI InChI=1S/C23H31N3S/c1-25(2)22-24-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,3-11,14H2,1-2H3/t17-,20+,23+/m0/s1
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65n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341307
PNG
(CHEMBL1766045 | N',N'-Dimethyl-aminothiazolo[5,4-b...)
Show SMILES CN(C)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C22H30FN3S/c1-25(2)21-24-18-14-17-15(13-20(18)27-21)12-19-16-6-3-4-7-22(16,17)8-11-26(19)10-5-9-23/h13-14,16,19H,3-12H2,1-2H3/t16-,19+,22+/m0/s1
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76n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341305
PNG
(CHEMBL1766043 | N'-Ethyl-aminothiazolo[5,4-b]-N-fl...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C22H30FN3S/c1-2-24-21-25-18-14-17-15(13-20(18)27-21)12-19-16-6-3-4-7-22(16,17)8-11-26(19)10-5-9-23/h13-14,16,19H,2-12H2,1H3,(H,24,25)/t16-,19+,22+/m0/s1
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76n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341289
PNG
(CHEMBL1766027 | N'-Propyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES CCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C24H33N3S/c1-2-10-25-23-26-20-14-19-17(13-22(20)28-23)12-21-18-5-3-4-8-24(18,19)9-11-27(21)15-16-6-7-16/h13-14,16,18,21H,2-12,15H2,1H3,(H,25,26)/t18-,21+,24+/m0/s1
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79n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341300
PNG
(CHEMBL1766038 | N'-Acetyl-N'-ethyl-amino-thiazolo[...)
Show SMILES CCN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C25H33N3OS/c1-3-28(16(2)29)24-26-21-14-20-18(13-23(21)30-24)12-22-19-6-4-5-9-25(19,20)10-11-27(22)15-17-7-8-17/h13-14,17,19,22H,3-12,15H2,1-2H3/t19-,22+,25+/m0/s1
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86n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341302
PNG
(CHEMBL1766040 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |r|
Show InChI InChI=1S/C24H33N3S/c1-2-25-23-26-20-14-19-17(13-22(20)28-23)12-21-18-8-3-4-9-24(18,19)10-11-27(21)15-16-6-5-7-16/h13-14,16,18,21H,2-12,15H2,1H3,(H,25,26)/t18-,21+,24+/m0/s1
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91n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341296
PNG
(CHEMBL1766034 | N'-(Pyridin-2-yl)-aminothiazolo[5,...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(Nc4ccccn4)nc2cc31 |r,TLB:0:4:15.30.14:12|
Show InChI InChI=1S/C26H30N4S/c1-3-9-26-10-12-30(16-17-7-8-17)22(19(26)5-1)13-18-14-23-21(15-20(18)26)28-25(31-23)29-24-6-2-4-11-27-24/h2,4,6,11,14-15,17,19,22H,1,3,5,7-10,12-13,16H2,(H,27,28,29)/t19-,22+,26+/m0/s1
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95n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341297
PNG
(CHEMBL1766035 | N'-(Piperazin-1-yl)-thiazolo[5,4-b...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(NN4CCNCC4)nc2cc31 |r,TLB:0:4:15.30.14:12|
Show InChI InChI=1S/C25H35N5S/c1-2-6-25-7-10-29(16-17-4-5-17)22(19(25)3-1)13-18-14-23-21(15-20(18)25)27-24(31-23)28-30-11-8-26-9-12-30/h14-15,17,19,22,26H,1-13,16H2,(H,27,28)/t19-,22+,25+/m0/s1
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110n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341299
PNG
(CHEMBL1766037 | N'-Acetyl-N'-methyl-aminothiazolo[...)
Show SMILES CN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C24H31N3OS/c1-15(28)26(2)23-25-20-13-19-17(12-22(20)29-23)11-21-18-5-3-4-8-24(18,19)9-10-27(21)14-16-6-7-16/h12-13,16,18,21H,3-11,14H2,1-2H3/t18-,21+,24+/m0/s1
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110n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341306
PNG
(CHEMBL1766044 | N'-Propyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CCCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C23H32FN3S/c1-2-10-25-22-26-19-15-18-16(14-21(19)28-22)13-20-17-6-3-4-7-23(17,18)8-12-27(20)11-5-9-24/h14-15,17,20H,2-13H2,1H3,(H,25,26)/t17-,20+,23+/m0/s1
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120n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341295
PNG
(CHEMBL1766033 | N'-Ethylthiourea-thiazolo[5,4-b]-N...)
Show SMILES CCNC(=S)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C24H32N4S2/c1-2-25-22(29)27-23-26-19-13-18-16(12-21(19)30-23)11-20-17-5-3-4-8-24(17,18)9-10-28(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H2,25,26,27,29)/t17-,20+,24+/m0/s1
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130n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341291
PNG
(CHEMBL1766029 | N'-Phenyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(Nc4ccccc4)nc2cc31 |r,TLB:0:4:15.30.14:12|
Show InChI InChI=1S/C27H31N3S/c1-2-6-20(7-3-1)28-26-29-23-16-22-19(15-25(23)31-26)14-24-21-8-4-5-11-27(21,22)12-13-30(24)17-18-9-10-18/h1-3,6-7,15-16,18,21,24H,4-5,8-14,17H2,(H,28,29)/t21-,24+,27+/m0/s1
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140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341295
PNG
(CHEMBL1766033 | N'-Ethylthiourea-thiazolo[5,4-b]-N...)
Show SMILES CCNC(=S)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C24H32N4S2/c1-2-25-22(29)27-23-26-19-13-18-16(12-21(19)30-23)11-20-17-5-3-4-8-24(17,18)9-10-28(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H2,25,26,27,29)/t17-,20+,24+/m0/s1
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150n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210551
PNG
(2'-amino oxazole[5,4-b]-N-cyclopropylmethylmorphin...)
Show SMILES Nc1nc2cc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3cc2o1 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C21H27N3O/c22-20-23-17-9-14-10-18-15-3-1-2-6-21(15,16(14)11-19(17)25-20)7-8-24(18)12-13-4-5-13/h9,11,13,15,18H,1-8,10,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
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150n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50137997
PNG
(3-Amino-N-cyclopropylmethylmorphinan | 3-aminocycl...)
Show SMILES Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H28N2/c21-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-22(19)13-14-4-5-14/h6-7,12,14,17,19H,1-5,8-11,13,21H2/t17-,19+,20+/m0/s1
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150n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341291
PNG
(CHEMBL1766029 | N'-Phenyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(Nc4ccccc4)nc2cc31 |r,TLB:0:4:15.30.14:12|
Show InChI InChI=1S/C27H31N3S/c1-2-6-20(7-3-1)28-26-29-23-16-22-19(15-25(23)31-26)14-24-21-8-4-5-11-27(21,22)12-13-30(24)17-18-9-10-18/h1-3,6-7,15-16,18,21,24H,4-5,8-14,17H2,(H,28,29)/t21-,24+,27+/m0/s1
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180n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341288
PNG
(CHEMBL1766026 | N'-Trifluoroethyl-aminothiazolo[5,...)
Show SMILES FC(F)(F)CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C23H28F3N3S/c24-23(25,26)13-27-21-28-18-11-17-15(10-20(18)30-21)9-19-16-3-1-2-6-22(16,17)7-8-29(19)12-14-4-5-14/h10-11,14,16,19H,1-9,12-13H2,(H,27,28)/t16-,19+,22+/m0/s1
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180n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341308
PNG
(CHEMBL1766021 | N-methyl-3-aminothiazolo-morphinan)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(N)nc2cc31 |r,TLB:0:1:12.21.11:9|
Show InChI InChI=1S/C18H23N3S/c1-21-7-6-18-5-3-2-4-12(18)15(21)8-11-9-16-14(10-13(11)18)20-17(19)22-16/h9-10,12,15H,2-8H2,1H3,(H2,19,20)/t12-,15+,18+/m0/s1
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190n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341304
PNG
(CHEMBL1766042 | N'-Acetyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C22H28FN3OS/c1-14(27)24-21-25-18-13-17-15(12-20(18)28-21)11-19-16-5-2-3-6-22(16,17)7-10-26(19)9-4-8-23/h12-13,16,19H,2-11H2,1H3,(H,24,25,27)/t16-,19+,22+/m0/s1
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220n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50210552
PNG
(CHEMBL390866 | MCL-183)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16-,19+,22+/m0/s1
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230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341307
PNG
(CHEMBL1766045 | N',N'-Dimethyl-aminothiazolo[5,4-b...)
Show SMILES CN(C)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C22H30FN3S/c1-25(2)21-24-18-14-17-15(13-20(18)27-21)12-19-16-6-3-4-7-22(16,17)8-11-26(19)10-5-9-23/h13-14,16,19H,3-12H2,1-2H3/t16-,19+,22+/m0/s1
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420n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341296
PNG
(CHEMBL1766034 | N'-(Pyridin-2-yl)-aminothiazolo[5,...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(Nc4ccccn4)nc2cc31 |r,TLB:0:4:15.30.14:12|
Show InChI InChI=1S/C26H30N4S/c1-3-9-26-10-12-30(16-17-7-8-17)22(19(26)5-1)13-18-14-23-21(15-20(18)26)28-25(31-23)29-24-6-2-4-11-27-24/h2,4,6,11,14-15,17,19,22H,1,3,5,7-10,12-13,16H2,(H,27,28,29)/t19-,22+,26+/m0/s1
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610n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341300
PNG
(CHEMBL1766038 | N'-Acetyl-N'-ethyl-amino-thiazolo[...)
Show SMILES CCN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C25H33N3OS/c1-3-28(16(2)29)24-26-21-14-20-18(13-23(21)30-24)12-22-19-6-4-5-9-25(19,20)10-11-27(22)15-17-7-8-17/h13-14,17,19,22H,3-12,15H2,1-2H3/t19-,22+,25+/m0/s1
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740n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341290
PNG
(CHEMBL1766028 | N'-Acetyl-aminothiazolo[5,4-b]-N-c...)
Show SMILES CC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C23H29N3OS/c1-14(27)24-22-25-19-12-18-16(11-21(19)28-22)10-20-17-4-2-3-7-23(17,18)8-9-26(20)13-15-5-6-15/h11-12,15,17,20H,2-10,13H2,1H3,(H,24,25,27)/t17-,20+,23+/m0/s1
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750n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341299
PNG
(CHEMBL1766037 | N'-Acetyl-N'-methyl-aminothiazolo[...)
Show SMILES CN(C(C)=O)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C24H31N3OS/c1-15(28)26(2)23-25-20-13-19-17(12-22(20)29-23)11-21-18-5-3-4-8-24(18,19)9-10-27(21)14-16-6-7-16/h12-13,16,18,21H,3-11,14H2,1-2H3/t18-,21+,24+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341297
PNG
(CHEMBL1766035 | N'-(Piperazin-1-yl)-thiazolo[5,4-b...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(NN4CCNCC4)nc2cc31 |r,TLB:0:4:15.30.14:12|
Show InChI InChI=1S/C25H35N5S/c1-2-6-25-7-10-29(16-17-4-5-17)22(19(25)3-1)13-18-14-23-21(15-20(18)25)27-24(31-23)28-30-11-8-26-9-12-30/h14-15,17,19,22,26H,1-13,16H2,(H,27,28)/t19-,22+,25+/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341297
PNG
(CHEMBL1766035 | N'-(Piperazin-1-yl)-thiazolo[5,4-b...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(NN4CCNCC4)nc2cc31 |r,TLB:0:4:15.30.14:12|
Show InChI InChI=1S/C25H35N5S/c1-2-6-25-7-10-29(16-17-4-5-17)22(19(25)3-1)13-18-14-23-21(15-20(18)25)27-24(31-23)28-30-11-8-26-9-12-30/h14-15,17,19,22,26H,1-13,16H2,(H,27,28)/t19-,22+,25+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50341296
PNG
(CHEMBL1766034 | N'-(Pyridin-2-yl)-aminothiazolo[5,...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2sc(Nc4ccccn4)nc2cc31 |r,TLB:0:4:15.30.14:12|
Show InChI InChI=1S/C26H30N4S/c1-3-9-26-10-12-30(16-17-7-8-17)22(19(26)5-1)13-18-14-23-21(15-20(18)26)28-25(31-23)29-24-6-2-4-11-27-24/h2,4,6,11,14-15,17,19,22H,1,3,5,7-10,12-13,16H2,(H,27,28,29)/t19-,22+,26+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210552
PNG
(CHEMBL390866 | MCL-183)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16-,19+,22+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341285
PNG
(Aminothiazolo[5,4-b]-N-(S)-tetrahydrofurylmethylmo...)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4C[C@@H]3CCCO3)cc2s1 |r|
Show InChI InChI=1S/C22H29N3OS/c23-21-24-18-12-17-14(11-20(18)27-21)10-19-16-5-1-2-6-22(16,17)7-8-25(19)13-15-4-3-9-26-15/h11-12,15-16,19H,1-10,13H2,(H2,23,24)/t15-,16-,19+,22+/m0/s1
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n/an/an/an/a 71n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341305
PNG
(CHEMBL1766043 | N'-Ethyl-aminothiazolo[5,4-b]-N-fl...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C22H30FN3S/c1-2-24-21-25-18-14-17-15(13-20(18)27-21)12-19-16-6-3-4-7-22(16,17)8-11-26(19)10-5-9-23/h13-14,16,19H,2-12H2,1H3,(H,24,25)/t16-,19+,22+/m0/s1
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n/an/an/an/a 89n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341305
PNG
(CHEMBL1766043 | N'-Ethyl-aminothiazolo[5,4-b]-N-fl...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C22H30FN3S/c1-2-24-21-25-18-14-17-15(13-20(18)27-21)12-19-16-6-3-4-7-22(16,17)8-11-26(19)10-5-9-23/h13-14,16,19H,2-12H2,1H3,(H,24,25)/t16-,19+,22+/m0/s1
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n/an/an/an/a 240n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341284
PNG
(Aminothiazolo[5,4-b]-N-fluoropropylmorphinan | CHE...)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C20H26FN3S/c21-7-3-8-24-9-6-20-5-2-1-4-14(20)17(24)10-13-11-18-16(12-15(13)20)23-19(22)25-18/h11-12,14,17H,1-10H2,(H2,22,23)/t14-,17+,20+/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210552
PNG
(CHEMBL390866 | MCL-183)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16-,19+,22+/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341303
PNG
(CHEMBL1766041 | N'-Methyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C21H28FN3S/c1-23-20-24-17-13-16-14(12-19(17)26-20)11-18-15-5-2-3-6-21(15,16)7-10-25(18)9-4-8-22/h12-13,15,18H,2-11H2,1H3,(H,23,24)/t15-,18+,21+/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341286
PNG
(CHEMBL1766024 | N'-Methylaminothiazolo[5,4-b]-N-cy...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C22H29N3S/c1-23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-4-2-3-7-22(16,17)8-9-25(19)13-14-5-6-14/h11-12,14,16,19H,2-10,13H2,1H3,(H,23,24)/t16-,19+,22+/m0/s1
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n/an/an/an/a 47n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50210552
PNG
(CHEMBL390866 | MCL-183)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16-,19+,22+/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341288
PNG
(CHEMBL1766026 | N'-Trifluoroethyl-aminothiazolo[5,...)
Show SMILES FC(F)(F)CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C23H28F3N3S/c24-23(25,26)13-27-21-28-18-11-17-15(10-20(18)30-21)9-19-16-3-1-2-6-22(16,17)7-8-29(19)12-14-4-5-14/h10-11,14,16,19H,1-9,12-13H2,(H,27,28)/t16-,19+,22+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341287
PNG
(CHEMBL1766025 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C23H31N3S/c1-2-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000780
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)
Show SMILES CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m0/s1
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n/an/an/an/a 46n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341287
PNG
(CHEMBL1766025 | N'-Ethyl-aminothiazolo[5,4-b]-N-cy...)
Show SMILES CCNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C23H31N3S/c1-2-24-22-25-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,2-11,14H2,1H3,(H,24,25)/t17-,20+,23+/m0/s1
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Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341285
PNG
(Aminothiazolo[5,4-b]-N-(S)-tetrahydrofurylmethylmo...)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4C[C@@H]3CCCO3)cc2s1 |r|
Show InChI InChI=1S/C22H29N3OS/c23-21-24-18-12-17-14(11-20(18)27-21)10-19-16-5-1-2-6-22(16,17)7-8-25(19)13-15-4-3-9-26-15/h11-12,15-16,19H,1-10,13H2,(H2,23,24)/t15-,16-,19+,22+/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341298
PNG
(CHEMBL1766036 | N',N'-Dimethyl-aminothiazolo[5,4-b...)
Show SMILES CN(C)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:20:19:8.7.9:11|
Show InChI InChI=1S/C23H31N3S/c1-25(2)22-24-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,3-11,14H2,1-2H3/t17-,20+,23+/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50341284
PNG
(Aminothiazolo[5,4-b]-N-fluoropropylmorphinan | CHE...)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C20H26FN3S/c21-7-3-8-24-9-6-20-5-2-1-4-14(20)17(24)10-13-11-18-16(12-15(13)20)23-19(22)25-18/h11-12,14,17H,1-10H2,(H2,22,23)/t14-,17+,20+/m0/s1
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Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
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n/an/an/an/a 73n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341298
PNG
(CHEMBL1766036 | N',N'-Dimethyl-aminothiazolo[5,4-b...)
Show SMILES CN(C)c1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:20:19:8.7.9:11|
Show InChI InChI=1S/C23H31N3S/c1-25(2)22-24-19-13-18-16(12-21(19)27-22)11-20-17-5-3-4-8-23(17,18)9-10-26(20)14-15-6-7-15/h12-13,15,17,20H,3-11,14H2,1-2H3/t17-,20+,23+/m0/s1
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n/an/an/an/a 46n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341286
PNG
(CHEMBL1766024 | N'-Methylaminothiazolo[5,4-b]-N-cy...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r|
Show InChI InChI=1S/C22H29N3S/c1-23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-4-2-3-7-22(16,17)8-9-25(19)13-14-5-6-14/h11-12,14,16,19H,2-10,13H2,1H3,(H,23,24)/t16-,19+,22+/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341303
PNG
(CHEMBL1766041 | N'-Methyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C21H28FN3S/c1-23-20-24-17-13-16-14(12-19(17)26-20)11-18-15-5-2-3-6-21(15,16)7-10-25(18)9-4-8-22/h12-13,15,18H,2-11H2,1H3,(H,23,24)/t15-,18+,21+/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%