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Compile Data Set for Download or QSAR

Found 10 hits of kd for monomerid = 50021322   
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


(Rattus norvegicus (rat))		BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND

J Med Chem 29: 531-7 (1986)


BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND

J Med Chem 29: 531-7 (1986)


BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 6.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND

J Med Chem 29: 531-7 (1986)


BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 6.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND

J Med Chem 29: 531-7 (1986)


BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 179n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND

J Med Chem 29: 531-7 (1986)


BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 179n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND

J Med Chem 29: 531-7 (1986)


BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 588n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND

J Med Chem 29: 531-7 (1986)


BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 588n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND

J Med Chem 29: 531-7 (1986)


BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 2.63E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against the receptor site model site 5 by using the curve-fitting program LIGAND

J Med Chem 29: 531-7 (1986)


BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50021322
PNG
(3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...)
Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1
Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3
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n/an/an/a 2.63E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor affinity against the receptor site model site 5 by using the curve-fitting program LIGAND

J Med Chem 29: 531-7 (1986)


BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair