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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50087014   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087014
PNG
(3-Benzyl-8-(5,8-dichloro-1,2,3,4-tetrahydro-naphth...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31Cl2N3O/c31-27-13-14-28(32)26-19-24(11-12-25(26)27)33-17-15-30(16-18-33)29(36)34(20-22-7-3-1-4-8-22)21-35(30)23-9-5-2-6-10-23/h1-10,13-14,24H,11-12,15-21H2
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15n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assay


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087014
PNG
(3-Benzyl-8-(5,8-dichloro-1,2,3,4-tetrahydro-naphth...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31Cl2N3O/c31-27-13-14-28(32)26-19-24(11-12-25(26)27)33-17-15-30(16-18-33)29(36)34(20-22-7-3-1-4-8-22)21-35(30)23-9-5-2-6-10-23/h1-10,13-14,24H,11-12,15-21H2
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19n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087014
PNG
(3-Benzyl-8-(5,8-dichloro-1,2,3,4-tetrahydro-naphth...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31Cl2N3O/c31-27-13-14-28(32)26-19-24(11-12-25(26)27)33-17-15-30(16-18-33)29(36)34(20-22-7-3-1-4-8-22)21-35(30)23-9-5-2-6-10-23/h1-10,13-14,24H,11-12,15-21H2
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52n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50087014
PNG
(3-Benzyl-8-(5,8-dichloro-1,2,3,4-tetrahydro-naphth...)
Show SMILES Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31Cl2N3O/c31-27-13-14-28(32)26-19-24(11-12-25(26)27)33-17-15-30(16-18-33)29(36)34(20-22-7-3-1-4-8-22)21-35(30)23-9-5-2-6-10-23/h1-10,13-14,24H,11-12,15-21H2
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146n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor delta 1


J Med Chem 43: 1329-38 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair