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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'herbertz' and Initial = 't'   
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))
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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199900
PNG
(3-((1R,2R,7S,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22-,23+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199900
PNG
(3-((1R,2R,7S,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22-,23+/m0/s1
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2.10n/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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cells


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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
Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199897
PNG
(3-((1R,2R,7S,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22+,23+/m0/s1
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16n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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
Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199901
PNG
(3-((1R,2R,7R,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22+,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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199901
PNG
(3-((1R,2R,7R,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22+,23+/m0/s1
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26n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-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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31n/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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-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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33n/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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-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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33n/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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199901
PNG
(3-((1R,2R,7R,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22+,23+/m0/s1
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35n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199897
PNG
(3-((1R,2R,7S,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22+,23+/m0/s1
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37n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199900
PNG
(3-((1R,2R,7S,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22-,23+/m0/s1
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65n/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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199893
PNG
(3-((1R,2R,9-alpha-S)-1,2-dimethyl-octahydro-1H-qui...)
Show SMILES C[C@H]1[C@@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C17H25NO/c1-13-16-8-3-4-10-18(16)11-9-17(13,2)14-6-5-7-15(19)12-14/h5-7,12-13,16,19H,3-4,8-11H2,1-2H3/t13-,16-,17+/m0/s1
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69n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199898
PNG
(3-((1R,2R,7R,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22-,23+/m0/s1
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73n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199898
PNG
(3-((1R,2R,7R,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22-,23+/m0/s1
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100n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199902
PNG
(3-((2R,3R,7S,9RR)-2,3-dimethyl-7-phenyl-octahydro-...)
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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110n/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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199895
PNG
(3-((2R,3R,7R,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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110n/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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199893
PNG
(3-((1R,2R,9-alpha-S)-1,2-dimethyl-octahydro-1H-qui...)
Show SMILES C[C@H]1[C@@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C17H25NO/c1-13-16-8-3-4-10-18(16)11-9-17(13,2)14-6-5-7-15(19)12-14/h5-7,12-13,16,19H,3-4,8-11H2,1-2H3/t13-,16-,17+/m0/s1
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120n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199898
PNG
(3-((1R,2R,7R,9-alpha-S)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19-,22-,23+/m0/s1
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190n/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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199893
PNG
(3-((1R,2R,9-alpha-S)-1,2-dimethyl-octahydro-1H-qui...)
Show SMILES C[C@H]1[C@@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C17H25NO/c1-13-16-8-3-4-10-18(16)11-9-17(13,2)14-6-5-7-15(19)12-14/h5-7,12-13,16,19H,3-4,8-11H2,1-2H3/t13-,16-,17+/m0/s1
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220n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199897
PNG
(3-((1R,2R,7S,9-alpha-R)-1,2-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1[C@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
Show InChI InChI=1S/C23H29NO/c1-17-22-12-11-19(18-7-4-3-5-8-18)16-24(22)14-13-23(17,2)20-9-6-10-21(25)15-20/h3-10,15,17,19,22,25H,11-14,16H2,1-2H3/t17-,19+,22+,23+/m0/s1
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280n/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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199905
PNG
(3-((2R,3R,7R,9-alpha-R)-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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430n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199902
PNG
(3-((2R,3R,7S,9RR)-2,3-dimethyl-7-phenyl-octahydro-...)
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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430n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199895
PNG
(3-((2R,3R,7R,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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440n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199904
PNG
(3-((1R,2R,9-alpha-R)-1,2-dimethyl-octahydro-1H-qui...)
Show SMILES C[C@H]1[C@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C17H25NO/c1-13-16-8-3-4-10-18(16)11-9-17(13,2)14-6-5-7-15(19)12-14/h5-7,12-13,16,19H,3-4,8-11H2,1-2H3/t13-,16+,17+/m0/s1
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520n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199894
PNG
(3-((2R,3R,9-alpha-R)-2,3-dimethyl-octahydro-1H-qui...)
Show SMILES C[C@H]1CN2CCCC[C@@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C17H25NO/c1-13-12-18-9-4-3-7-15(18)11-17(13,2)14-6-5-8-16(19)10-14/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/t13-,15+,17+/m0/s1
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520n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199894
PNG
(3-((2R,3R,9-alpha-R)-2,3-dimethyl-octahydro-1H-qui...)
Show SMILES C[C@H]1CN2CCCC[C@@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C17H25NO/c1-13-12-18-9-4-3-7-15(18)11-17(13,2)14-6-5-8-16(19)10-14/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/t13-,15+,17+/m0/s1
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710n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50199902
PNG
(3-((2R,3R,7S,9RR)-2,3-dimethyl-7-phenyl-octahydro-...)
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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900n/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: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199903
PNG
(3-((2R,3R,9-alpha-S)-2,3-dimethyl-octahydro-1H-qui...)
Show SMILES C[C@H]1CN2CCCC[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C17H25NO/c1-13-12-18-9-4-3-7-15(18)11-17(13,2)14-6-5-8-16(19)10-14/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/t13-,15-,17+/m0/s1
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940n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50199905
PNG
(3-((2R,3R,7R,9-alpha-R)-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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1.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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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n/an/a 0.540n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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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n/an/a 1.10n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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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n/an/a 1.20n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTPgammaS ...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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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n/an/a 4.10n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
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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n/an/a 7.30n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50333561
PNG
(2-{5-Chloro-2-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahy...)
Show SMILES CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl
Show InChI InChI=1S/C25H28ClFN6O2/c1-28-24(34)19-4-3-5-21(27)22(19)31-23-20(26)15-29-25(32-23)30-18-7-6-16-8-10-33(12-13-35-2)11-9-17(16)14-18/h3-7,14-15H,8-13H2,1-2H3,(H,28,34)(H2,29,30,31,32)
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n/an/a 8n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met cytoplasmic domain expressed in baculovirus after 30 mins by time-resolved fluorescence assay


Bioorg Med Chem Lett 21: 660-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.013
BindingDB Entry DOI: 10.7270/Q2RB74WV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50333572
PNG
(2-{5-Chloro-2-[9-(2-methoxy-acetyl)-6,7,8,9-tetrah...)
Show SMILES CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCCOc3c2)C(=O)COC)ncc1Cl
Show InChI InChI=1S/C24H24ClFN6O4/c1-27-23(34)15-5-3-6-17(26)21(15)30-22-16(25)12-28-24(31-22)29-14-7-8-18-19(11-14)36-10-4-9-32(18)20(33)13-35-2/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,27,34)(H2,28,29,30,31)
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n/an/a 13n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met cytoplasmic domain expressed in baculovirus after 30 mins by time-resolved fluorescence assay


Bioorg Med Chem Lett 21: 660-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.013
BindingDB Entry DOI: 10.7270/Q2RB74WV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50333567
PNG
(2-[5-Chloro-2-(9-ethyl-6,7,8,9-tetrahydro-5-oxa-9-...)
Show SMILES CCN1CCCOc2cc(Nc3ncc(Cl)c(Nc4c(F)cccc4C(=O)NC)n3)ccc12
Show InChI InChI=1S/C23H24ClFN6O2/c1-3-31-10-5-11-33-19-12-14(8-9-18(19)31)28-23-27-13-16(24)21(30-23)29-20-15(22(32)26-2)6-4-7-17(20)25/h4,6-9,12-13H,3,5,10-11H2,1-2H3,(H,26,32)(H2,27,28,29,30)
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n/an/a 14n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met cytoplasmic domain expressed in baculovirus after 30 mins by time-resolved fluorescence assay


Bioorg Med Chem Lett 21: 660-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.013
BindingDB Entry DOI: 10.7270/Q2RB74WV
More data for this
Ligand-Target Pair
Delta-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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n/an/a 16n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned delta opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-...


J Med Chem 49: 7278-89 (2006)


Article DOI: 10.1021/jm060486f
BindingDB Entry DOI: 10.7270/Q27P906S
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50333575
PNG
(2-[2-(9-Acetyl-6,7,8,9-tetrahydro-5-oxa-9-aza-benz...)
Show SMILES CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3OCCCN(C(C)=O)c3c2)ncc1Cl
Show InChI InChI=1S/C23H22ClFN6O3/c1-13(32)31-9-4-10-34-19-8-7-14(11-18(19)31)28-23-27-12-16(24)21(30-23)29-20-15(22(33)26-2)5-3-6-17(20)25/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,26,33)(H2,27,28,29,30)
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n/an/a 17n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met cytoplasmic domain expressed in baculovirus after 30 mins by time-resolved fluorescence assay


Bioorg Med Chem Lett 21: 660-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.013
BindingDB Entry DOI: 10.7270/Q2RB74WV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50333567
PNG
(2-[5-Chloro-2-(9-ethyl-6,7,8,9-tetrahydro-5-oxa-9-...)
Show SMILES CCN1CCCOc2cc(Nc3ncc(Cl)c(Nc4c(F)cccc4C(=O)NC)n3)ccc12
Show InChI InChI=1S/C23H24ClFN6O2/c1-3-31-10-5-11-33-19-12-14(8-9-18(19)31)28-23-27-13-16(24)21(30-23)29-20-15(22(32)26-2)6-4-7-17(20)25/h4,6-9,12-13H,3,5,10-11H2,1-2H3,(H,26,32)(H2,27,28,29,30)
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n/an/a 18n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met expressed in human GTL-16 cells after 2 hrs


Bioorg Med Chem Lett 21: 660-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.013
BindingDB Entry DOI: 10.7270/Q2RB74WV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50333561
PNG
(2-{5-Chloro-2-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahy...)
Show SMILES CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl
Show InChI InChI=1S/C25H28ClFN6O2/c1-28-24(34)19-4-3-5-21(27)22(19)31-23-20(26)15-29-25(32-23)30-18-7-6-16-8-10-33(12-13-35-2)11-9-17(16)14-18/h3-7,14-15H,8-13H2,1-2H3,(H,28,34)(H2,29,30,31,32)
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n/an/a 19n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met expressed in human GTL-16 cells after 2 hrs


Bioorg Med Chem Lett 21: 660-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.013
BindingDB Entry DOI: 10.7270/Q2RB74WV
More data for this
Ligand-Target Pair
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