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PubMed code 17149859

Compile Data Set for Download or QSAR

Found 215 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199910
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(2-chlorobenzyl)...)
Show SMILES C[C@H]1CN2CCN(Cc3ccccc3Cl)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H29ClN2O/c1-17-14-26-11-10-25(15-18-6-3-4-9-22(18)24)16-20(26)13-23(17,2)19-7-5-8-21(27)12-19/h3-9,12,17,20,27H,10-11,13-16H2,1-2H3/t17-,20+,23+/m0/s1
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0.470n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199945
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(2-methylbenzyl)...)
Show SMILES C[C@H]1CN2CCN(Cc3ccccc3C)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H32N2O/c1-18-7-4-5-8-20(18)16-25-11-12-26-15-19(2)24(3,14-22(26)17-25)21-9-6-10-23(27)13-21/h4-10,13,19,22,27H,11-12,14-17H2,1-3H3/t19-,22+,24+/m0/s1
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0.980n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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1n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199941
PNG
(3-((7R,8R,9alphaR)-2-(cyclohexylmethyl)-7,8-dimeth...)
Show SMILES C[C@H]1CN2CCN(CC3CCCCC3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H36N2O/c1-18-15-25-12-11-24(16-19-7-4-3-5-8-19)17-21(25)14-23(18,2)20-9-6-10-22(26)13-20/h6,9-10,13,18-19,21,26H,3-5,7-8,11-12,14-17H2,1-2H3/t18-,21+,23+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199914
PNG
(3-((7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-octahydro...)
Show SMILES C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H30N2O/c1-18-15-25-12-11-24(16-19-7-4-3-5-8-19)17-21(25)14-23(18,2)20-9-6-10-22(26)13-20/h3-10,13,18,21,26H,11-12,14-17H2,1-2H3/t18-,21+,23+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199936
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-methylbenzyl)...)
Show SMILES C[C@H]1CN2CCN(Cc3cccc(C)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H32N2O/c1-18-6-4-7-20(12-18)16-25-10-11-26-15-19(2)24(3,14-22(26)17-25)21-8-5-9-23(27)13-21/h4-9,12-13,19,22,27H,10-11,14-17H2,1-3H3/t19-,22+,24+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199946
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(thiophen-2-ylme...)
Show SMILES C[C@H]1CN2CCN(Cc3cccs3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C21H28N2OS/c1-16-13-23-9-8-22(15-20-7-4-10-25-20)14-18(23)12-21(16,2)17-5-3-6-19(24)11-17/h3-7,10-11,16,18,24H,8-9,12-15H2,1-2H3/t16-,18+,21+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199920
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-chlorobenzyl)...)
Show SMILES C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H29ClN2O/c1-17-14-26-10-9-25(15-18-5-3-7-20(24)11-18)16-21(26)13-23(17,2)19-6-4-8-22(27)12-19/h3-8,11-12,17,21,27H,9-10,13-16H2,1-2H3/t17-,21+,23+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199937
PNG
(2-(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimeth...)
Show SMILES C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-11-10-24(15-18-6-3-4-9-22(18)27)16-20(25)13-23(17,2)19-7-5-8-21(26)12-19/h3-9,12,17,20,26-27H,10-11,13-16H2,1-2H3/t17-,20+,23+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199931
PNG
(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(c1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H29N3O/c1-16-14-26-15-21(17-7-4-3-5-8-17)25-13-20(26)12-23(16,2)19-10-6-9-18(11-19)22(24)27/h3-11,16,20-21,25H,12-15H2,1-2H3,(H2,24,27)/t16-,20+,21+,23+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50045767
PNG
((+)-N-phenethyl trans-3(R),4(R)-dimethyl-4-(3-hydr...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H27NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h3-10,15,17,23H,11-14,16H2,1-2H3/t17-,21+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199913
PNG
(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...)
Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/m0/s1
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2n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199938
PNG
(3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...)
Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C22H34N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h6,9-11,16-17,19,21,23,25H,3-5,7-8,12-15H2,1-2H3/t16-,19+,21+,22+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199925
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(thiophen-3-ylme...)
Show SMILES C[C@H]1CN2CCN(Cc3ccsc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C21H28N2OS/c1-16-12-23-8-7-22(13-17-6-9-25-15-17)14-19(23)11-21(16,2)18-4-3-5-20(24)10-18/h3-6,9-10,15-16,19,24H,7-8,11-14H2,1-2H3/t16-,19+,21+/m0/s1
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3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199912
PNG
(3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...)
Show SMILES C[C@H]1CN2C[C@@H](N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-14-25-16-22(18-8-5-4-6-9-18)24(3)15-20(25)13-23(17,2)19-10-7-11-21(26)12-19/h4-12,17,20,22,26H,13-16H2,1-3H3/t17-,20+,22+,23+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199947
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(naphthalen-1-yl...)
Show SMILES C[C@H]1CN2CCN(Cc3cccc4ccccc34)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C27H32N2O/c1-20-17-29-14-13-28(18-22-9-5-8-21-7-3-4-12-26(21)22)19-24(29)16-27(20,2)23-10-6-11-25(30)15-23/h3-12,15,20,24,30H,13-14,16-19H2,1-2H3/t20-,24+,27+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199943
PNG
(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C22H28N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h3-11,16,19,21,23,25H,12-15H2,1-2H3/t16-,19+,21+,22+/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199929
PNG
(3-((7R,8R,9alphaR)-2-(3-hydroxybenzyl)-7,8-dimethy...)
Show SMILES C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-10-9-24(15-18-5-3-7-21(26)11-18)16-20(25)13-23(17,2)19-6-4-8-22(27)12-19/h3-8,11-12,17,20,26-27H,9-10,13-16H2,1-2H3/t17-,20+,23+/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199935
PNG
(3-((3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3-phen...)
Show SMILES C[C@H]1CN2C[C@@H](N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H34N2O/c1-22-18-30-21-28(24-12-7-4-8-13-24)31(19-23-10-5-3-6-11-23)20-26(30)17-29(22,2)25-14-9-15-27(32)16-25/h3-16,22,26,28,32H,17-21H2,1-2H3/t22-,26+,28+,29+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199934
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...)
Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199948
PNG
(3-((7R,8R,9alphaR)-2-(furan-2-ylmethyl)-7,8-dimeth...)
Show SMILES C[C@H]1CN2CCN(Cc3ccco3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C21H28N2O2/c1-16-13-23-9-8-22(15-20-7-4-10-25-20)14-18(23)12-21(16,2)17-5-3-6-19(24)11-17/h3-7,10-11,16,18,24H,8-9,12-15H2,1-2H3/t16-,18+,21+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199907
PNG
(3-((3S,7R,8R,9alphaR)-3-benzyl-7,8-dimethyl-octahy...)
Show SMILES C[C@H]1CN2C[C@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-15-25-16-20(11-18-7-4-3-5-8-18)24-14-21(25)13-23(17,2)19-9-6-10-22(26)12-19/h3-10,12,17,20-21,24,26H,11,13-16H2,1-2H3/t17-,20-,21+,23+/m0/s1
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8.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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9n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199928
PNG
(3-((7R,8R,9alphaR)-2-(4-hydroxybenzyl)-7,8-dimethy...)
Show SMILES C[C@H]1CN2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-11-10-24(15-18-6-8-21(26)9-7-18)16-20(25)13-23(17,2)19-4-3-5-22(27)12-19/h3-9,12,17,20,26-27H,10-11,13-16H2,1-2H3/t17-,20+,23+/m0/s1
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10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199931
PNG
(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(c1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H29N3O/c1-16-14-26-15-21(17-7-4-3-5-8-17)25-13-20(26)12-23(16,2)19-10-6-9-18(11-19)22(24)27/h3-11,16,20-21,25H,12-15H2,1-2H3,(H2,24,27)/t16-,20+,21+,23+/m0/s1
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11n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199952
PNG
(CHEMBL219044 | methyl 3-(((7R,8R,9alphaR)-8-(3-hyd...)
Show SMILES COC(=O)c1cccc(CN2CCN3C[C@H](C)[C@@](C)(C[C@@H]3C2)c2cccc(O)c2)c1 |r|
Show InChI InChI=1S/C25H32N2O3/c1-18-15-27-11-10-26(16-19-6-4-7-20(12-19)24(29)30-3)17-22(27)14-25(18,2)21-8-5-9-23(28)13-21/h4-9,12-13,18,22,28H,10-11,14-17H2,1-3H3/t18-,22+,25+/m0/s1
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11n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199926
PNG
(3-((7R,8R,9alphaR)-2-(furan-3-ylmethyl)-7,8-dimeth...)
Show SMILES C[C@H]1CN2CCN(Cc3ccoc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C21H28N2O2/c1-16-12-23-8-7-22(13-17-6-9-25-15-17)14-19(23)11-21(16,2)18-4-3-5-20(24)10-18/h3-6,9-10,15-16,19,24H,7-8,11-14H2,1-2H3/t16-,19+,21+/m0/s1
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12n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199930
PNG
(3-((7R,8R,9alphaR)-2-(3-(benzyloxy)benzyl)-7,8-dim...)
Show SMILES C[C@H]1CN2CCN(Cc3cccc(OCc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C30H36N2O2/c1-23-19-32-15-14-31(21-27(32)18-30(23,2)26-11-7-12-28(33)17-26)20-25-10-6-13-29(16-25)34-22-24-8-4-3-5-9-24/h3-13,16-17,23,27,33H,14-15,18-22H2,1-2H3/t23-,27+,30+/m0/s1
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13n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199912
PNG
(3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...)
Show SMILES C[C@H]1CN2C[C@@H](N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-14-25-16-22(18-8-5-4-6-9-18)24(3)15-20(25)13-23(17,2)19-10-7-11-21(26)12-19/h4-12,17,20,22,26H,13-16H2,1-3H3/t17-,20+,22+,23+/m0/s1
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13n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199915
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(pyridin-3-ylmet...)
Show SMILES C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C22H29N3O/c1-17-14-25-10-9-24(15-18-5-4-8-23-13-18)16-20(25)12-22(17,2)19-6-3-7-21(26)11-19/h3-8,11,13,17,20,26H,9-10,12,14-16H2,1-2H3/t17-,20+,22+/m0/s1
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13n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199942
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(4-methylbenzyl)...)
Show SMILES C[C@H]1CN2CCN(Cc3ccc(C)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H32N2O/c1-18-7-9-20(10-8-18)16-25-11-12-26-15-19(2)24(3,14-22(26)17-25)21-5-4-6-23(27)13-21/h4-10,13,19,22,27H,11-12,14-17H2,1-3H3/t19-,22+,24+/m0/s1
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14n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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14n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199908
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(pyridin-4-ylmet...)
Show SMILES C[C@H]1CN2CCN(Cc3ccncc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C22H29N3O/c1-17-14-25-11-10-24(15-18-6-8-23-9-7-18)16-20(25)13-22(17,2)19-4-3-5-21(26)12-19/h3-9,12,17,20,26H,10-11,13-16H2,1-2H3/t17-,20+,22+/m0/s1
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15n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199938
PNG
(3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...)
Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C22H34N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h6,9-11,16-17,19,21,23,25H,3-5,7-8,12-15H2,1-2H3/t16-,19+,21+,22+/m0/s1
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16n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199910
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(2-chlorobenzyl)...)
Show SMILES C[C@H]1CN2CCN(Cc3ccccc3Cl)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H29ClN2O/c1-17-14-26-11-10-25(15-18-6-3-4-9-22(18)24)16-20(26)13-23(17,2)19-7-5-8-21(27)12-19/h3-9,12,17,20,27H,10-11,13-16H2,1-2H3/t17-,20+,23+/m0/s1
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16n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199953
PNG
(1-((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethy...)
Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C24H30N2O2/c1-18-16-25-11-12-26(23(28)13-19-7-4-3-5-8-19)17-21(25)15-24(18,2)20-9-6-10-22(27)14-20/h3-10,14,18,21,27H,11-13,15-17H2,1-2H3/t18-,21+,24+/m0/s1
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17n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50045767
PNG
((+)-N-phenethyl trans-3(R),4(R)-dimethyl-4-(3-hydr...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H27NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h3-10,15,17,23H,11-14,16H2,1-2H3/t17-,21+/m0/s1
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17n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199919
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(4-chlorobenzyl)...)
Show SMILES C[C@H]1CN2CCN(Cc3ccc(Cl)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H29ClN2O/c1-17-14-26-11-10-25(15-18-6-8-20(24)9-7-18)16-21(26)13-23(17,2)19-4-3-5-22(27)12-19/h3-9,12,17,21,27H,10-11,13-16H2,1-2H3/t17-,21+,23+/m0/s1
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17n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199911
PNG
(3-((3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3-phen...)
Show SMILES C[C@H]1CN2C[C@@H](N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(c1)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C30H35N3O/c1-22-18-32-21-28(24-12-7-4-8-13-24)33(19-23-10-5-3-6-11-23)20-27(32)17-30(22,2)26-15-9-14-25(16-26)29(31)34/h3-16,22,27-28H,17-21H2,1-2H3,(H2,31,34)/t22-,27+,28+,30+/m0/s1
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17n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199943
PNG
(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C22H28N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h3-11,16,19,21,23,25H,12-15H2,1-2H3/t16-,19+,21+,22+/m0/s1
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18n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199921
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(pyridin-2-ylmet...)
Show SMILES C[C@H]1CN2CCN(Cc3ccccn3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C22H29N3O/c1-17-14-25-11-10-24(15-19-7-3-4-9-23-19)16-20(25)13-22(17,2)18-6-5-8-21(26)12-18/h3-9,12,17,20,26H,10-11,13-16H2,1-2H3/t17-,20+,22+/m0/s1
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20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199932
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-phenoxybenzyl...)
Show SMILES C[C@H]1CN2CCN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H34N2O2/c1-22-19-31-15-14-30(21-25(31)18-29(22,2)24-9-7-10-26(32)17-24)20-23-8-6-13-28(16-23)33-27-11-4-3-5-12-27/h3-13,16-17,22,25,32H,14-15,18-21H2,1-2H3/t22-,25+,29+/m0/s1
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21n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199932
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-phenoxybenzyl...)
Show SMILES C[C@H]1CN2CCN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H34N2O2/c1-22-19-31-15-14-30(21-25(31)18-29(22,2)24-9-7-10-26(32)17-24)20-23-8-6-13-28(16-23)33-27-11-4-3-5-12-27/h3-13,16-17,22,25,32H,14-15,18-21H2,1-2H3/t22-,25+,29+/m0/s1
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24n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199949
PNG
(3-((3R,7R,8R,9alpahR)-3-benzyl-7,8-dimethyl-octahy...)
Show SMILES C[C@H]1CN2C[C@@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H30N2O/c1-17-15-25-16-20(11-18-7-4-3-5-8-18)24-14-21(25)13-23(17,2)19-9-6-10-22(26)12-19/h3-10,12,17,20-21,24,26H,11,13-16H2,1-2H3/t17-,20+,21+,23+/m0/s1
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25n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199913
PNG
(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...)
Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/m0/s1
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25n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199945
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(2-methylbenzyl)...)
Show SMILES C[C@H]1CN2CCN(Cc3ccccc3C)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H32N2O/c1-18-7-4-5-8-20(18)16-25-11-12-26-15-19(2)24(3,14-22(26)17-25)21-9-6-10-23(27)13-21/h4-10,13,19,22,27H,11-12,14-17H2,1-3H3/t19-,22+,24+/m0/s1
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30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 215 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%