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PubMed code 1310115

Compile data set for download or QSAR
Found 11 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
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
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Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(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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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50229959
PNG
(CHEMBL152663)
Show SMILES Oc1cccc(c1)C12CCN(CC3CC3)C[C@@H]1CCC(=C)C2
Show InChI InChI=1S/C20H27NO/c1-15-5-8-18-14-21(13-16-6-7-16)10-9-20(18,12-15)17-3-2-4-19(22)11-17/h2-4,11,16,18,22H,1,5-10,12-14H2/t18-,20?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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PubMed
n/an/a 28n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50229964
PNG
(CHEMBL150615)
Show SMILES Oc1cccc(c1)C12CCN(CC3CCC3)C[C@@H]1CC=CC2
Show InChI InChI=1S/C20H27NO/c22-19-9-4-8-17(13-19)20-10-2-1-7-18(20)15-21(12-11-20)14-16-5-3-6-16/h1-2,4,8-9,13,16,18,22H,3,5-7,10-12,14-15H2/t18-,20?/m0/s1
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50229958
PNG
(CHEMBL152720)
Show SMILES CN1CCC2(CC(=C)CC[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C17H23NO/c1-13-6-7-15-12-18(2)9-8-17(15,11-13)14-4-3-5-16(19)10-14/h3-5,10,15,19H,1,6-9,11-12H2,2H3/t15-,17?/m0/s1
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PubMed
n/an/a 60n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50229957
PNG
(CHEMBL153459)
Show SMILES Oc1cccc(c1)C12CCN(CC3CC3)C[C@@H]1CC=CC2
Show InChI InChI=1S/C19H25NO/c21-18-6-3-5-16(12-18)19-9-2-1-4-17(19)14-20(11-10-19)13-15-7-8-15/h1-3,5-6,12,15,17,21H,4,7-11,13-14H2/t17-,19?/m0/s1
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PubMed
n/an/a 90n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50229956
PNG
(CHEMBL153616)
Show SMILES Oc1cccc(c1)C12CCN(CC3CC3)C[C@@H]1CCC(=O)C2
Show InChI InChI=1S/C19H25NO2/c21-17-3-1-2-15(10-17)19-8-9-20(12-14-4-5-14)13-16(19)6-7-18(22)11-19/h1-3,10,14,16,21H,4-9,11-13H2/t16-,19?/m0/s1
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PubMed
n/an/a 120n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50229963
PNG
(CHEMBL347719)
Show SMILES CN1CCC2(CC=CC[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C16H21NO/c1-17-10-9-16(8-3-2-5-14(16)12-17)13-6-4-7-15(18)11-13/h2-4,6-7,11,14,18H,5,8-10,12H2,1H3/t14-,16?/m0/s1
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PubMed
n/an/a 130n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50229960
PNG
(CHEMBL357705)
Show SMILES Oc1cccc(c1)C12CCN(CC=C)C[C@@H]1CCC(=C)C2
Show InChI InChI=1S/C19H25NO/c1-3-10-20-11-9-19(16-5-4-6-18(21)12-16)13-15(2)7-8-17(19)14-20/h3-6,12,17,21H,1-2,7-11,13-14H2/t17-,19?/m0/s1
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Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50000087
PNG
(3-(2-Cyclopropylmethyl-octahydro-isoquinolin-4a-yl...)
Show SMILES Oc1cccc(c1)C12CCCC[C@H]1CN(CC1CC1)CC2
Show InChI InChI=1S/C19H27NO/c21-18-6-3-5-16(12-18)19-9-2-1-4-17(19)14-20(11-10-19)13-15-7-8-15/h3,5-6,12,15,17,21H,1-2,4,7-11,13-14H2/t17-,19?/m0/s1
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Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum


J Med Chem 35: 48-56 (1992)


Article DOI: 10.1021/jm00079a005
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%