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Compile Data Set for Download or QSAR

Found 7 hits of ki for monomerid = 50029785   
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/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50029785
PNG
(8-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-5-(3-hydr...)
Show SMILES CN1CCC2(CC1C(=Cc1ccc(Cl)cc1)C(=O)C2)c1cccc(O)c1
Show InChI InChI=1/C22H22ClNO2/c1-24-10-9-22(16-3-2-4-18(25)12-16)13-20(24)19(21(26)14-22)11-15-5-7-17(23)8-6-15/h2-8,11-12,20,25H,9-10,13-14H2,1H3/b19-11+
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21.6n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-DAMGO binding to rat brain Opioid receptor mu 1


J Med Chem 38: 4776-85 (1996)


Article DOI: 10.1021/jm00024a005
BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50029785
PNG
(8-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-5-(3-hydr...)
Show SMILES CN1CCC2(CC1C(=Cc1ccc(Cl)cc1)C(=O)C2)c1cccc(O)c1
Show InChI InChI=1/C22H22ClNO2/c1-24-10-9-22(16-3-2-4-18(25)12-16)13-20(24)19(21(26)14-22)11-15-5-7-17(23)8-6-15/h2-8,11-12,20,25H,9-10,13-14H2,1H3/b19-11+
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38n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-(+)-pentazocine binding to guinea pig brain Sigma receptor type 1


J Med Chem 38: 4776-85 (1996)


Article DOI: 10.1021/jm00024a005
BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50029785
PNG
(8-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-5-(3-hydr...)
Show SMILES CN1CCC2(CC1C(=Cc1ccc(Cl)cc1)C(=O)C2)c1cccc(O)c1
Show InChI InChI=1/C22H22ClNO2/c1-24-10-9-22(16-3-2-4-18(25)12-16)13-20(24)19(21(26)14-22)11-15-5-7-17(23)8-6-15/h2-8,11-12,20,25H,9-10,13-14H2,1H3/b19-11+
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38.1n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-(+)-pentazocine binding to guinea pig brain Sigma receptor type 1


J Med Chem 38: 4776-85 (1996)


Article DOI: 10.1021/jm00024a005
BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50029785
PNG
(8-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-5-(3-hydr...)
Show SMILES CN1CCC2(CC1C(=Cc1ccc(Cl)cc1)C(=O)C2)c1cccc(O)c1
Show InChI InChI=1/C22H22ClNO2/c1-24-10-9-22(16-3-2-4-18(25)12-16)13-20(24)19(21(26)14-22)11-15-5-7-17(23)8-6-15/h2-8,11-12,20,25H,9-10,13-14H2,1H3/b19-11+
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48n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-DAMGO binding to rat brain Opioid receptor mu 1


J Med Chem 38: 4776-85 (1996)


Article DOI: 10.1021/jm00024a005
BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50029785
PNG
(8-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-5-(3-hydr...)
Show SMILES CN1CCC2(CC1C(=Cc1ccc(Cl)cc1)C(=O)C2)c1cccc(O)c1
Show InChI InChI=1/C22H22ClNO2/c1-24-10-9-22(16-3-2-4-18(25)12-16)13-20(24)19(21(26)14-22)11-15-5-7-17(23)8-6-15/h2-8,11-12,20,25H,9-10,13-14H2,1H3/b19-11+
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336n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-DADLE binding to rat brain delta receptor


J Med Chem 38: 4776-85 (1996)


Article DOI: 10.1021/jm00024a005
BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50029785
PNG
(8-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-5-(3-hydr...)
Show SMILES CN1CCC2(CC1C(=Cc1ccc(Cl)cc1)C(=O)C2)c1cccc(O)c1
Show InChI InChI=1/C22H22ClNO2/c1-24-10-9-22(16-3-2-4-18(25)12-16)13-20(24)19(21(26)14-22)11-15-5-7-17(23)8-6-15/h2-8,11-12,20,25H,9-10,13-14H2,1H3/b19-11+
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>500n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-U69,593 binding to guinea pig Opioid receptor kappa 1


J Med Chem 38: 4776-85 (1996)


Article DOI: 10.1021/jm00024a005
BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50029785
PNG
(8-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-5-(3-hydr...)
Show SMILES CN1CCC2(CC1C(=Cc1ccc(Cl)cc1)C(=O)C2)c1cccc(O)c1
Show InChI InChI=1/C22H22ClNO2/c1-24-10-9-22(16-3-2-4-18(25)12-16)13-20(24)19(21(26)14-22)11-15-5-7-17(23)8-6-15/h2-8,11-12,20,25H,9-10,13-14H2,1H3/b19-11+
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>1.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-DADLE binding to rat brain delta receptor


J Med Chem 38: 4776-85 (1996)


Article DOI: 10.1021/jm00024a005
BindingDB Entry DOI: 10.7270/Q2XW4HVW
More data for this
Ligand-Target Pair