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PubMed code 3007760

Compile data set for download or QSAR
Found 60 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
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 370n/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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for opioid receptor affinity against the receptor site model site 5

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))		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/an/a 0.400n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)

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))		BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 2.70E+3n/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
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 83n/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))		BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 137n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 256n/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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		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/an/a 154n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for Opioid receptor mu 1 affinity against the receptor site model site 1(mu1)

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))		BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/a 625n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)

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)		BDBM50021328
PNG
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)
Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O |TLB:1:2:20.13.19:4.10.9|
Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3
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n/an/an/a 4.16E+3n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 100n/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))		BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/a 0.900n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)

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)		BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 3.70E+3n/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
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
Kappa-type opioid receptor


(Rattus norvegicus (rat))		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/an/a 1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)

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))		BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 625n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))		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/an/a 0.400n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)

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)		BDBM50452273
PNG
(Dihydromorphine)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)ccc3O |TLB:10:9:14:4.5.6|
Show InChI InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/a 200n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for opioid receptor affinity against the receptor site model site 5

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))		BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 4.00E+3n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021328
PNG
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)
Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O |TLB:1:2:20.13.19:4.10.9|
Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3
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n/an/an/a 6.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2)

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)		BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 833n/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)		BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 833n/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


(Rattus norvegicus (rat))		BDBM50021328
PNG
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)
Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O |TLB:1:2:20.13.19:4.10.9|
Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3
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n/an/an/a 14n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against the Opioid receptor delta 1

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))		BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 3.00E+4n/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))		BDBM50452273
PNG
(Dihydromorphine)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)ccc3O |TLB:10:9:14:4.5.6|
Show InChI InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/a 100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against the Opioid receptor delta 1

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))		BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 370n/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))		BDBM50021328
PNG
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)
Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O |TLB:1:2:20.13.19:4.10.9|
Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3
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n/an/an/a 0.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)

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))		BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 2.70E+3n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 1.17E+3n/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
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


(Rattus norvegicus (rat))		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/an/a 18n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against the Opioid receptor delta 1

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))		BDBM50452273
PNG
(Dihydromorphine)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)ccc3O |TLB:10:9:14:4.5.6|
Show InChI InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/a 830n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)

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
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 1.17E+3n/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))		BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 114n/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
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/a 2.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against the Opioid receptor delta 1

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))		BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 4.00E+3n/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
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 625n/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))		BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 83n/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))		BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 137n/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
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021328
PNG
(3-Cyclopropylmethyl-11-ethyl-8-hydroxy-6-methyl-3,...)
Show SMILES CCC1C2N(CC3CC3)CCC1(C)c1cc(O)ccc1C2=O |TLB:1:2:20.13.19:4.10.9|
Show InChI InChI=1S/C19H25NO2/c1-3-15-17-18(22)14-7-6-13(21)10-16(14)19(15,2)8-9-20(17)11-12-4-5-12/h6-7,10,12,15,17,21H,3-5,8-9,11H2,1-2H3
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n/an/an/a 0.300n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)

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))		BDBM50452273
PNG
(Dihydromorphine)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)ccc3O |TLB:10:9:14:4.5.6|
Show InChI InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2)

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))		BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 3.00E+4n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50452273
PNG
(Dihydromorphine)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)ccc3O |TLB:10:9:14:4.5.6|
Show InChI InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/a 0.200n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for Opioid receptor mu 1 affinity against the receptor site model site 1(mu1)

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
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/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 8.33E+3n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 120n/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))		BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 120n/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))		BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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n/an/an/a 22n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 2 affinity against the receptor site model site 2(mu2)

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))		BDBM50021324
PNG
(3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-ph...)
Show SMILES CC1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
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n/an/an/a 256n/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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 3.70E+3n/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)		BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 8.33E+3n/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
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))		BDBM50021323
PNG
(3-(1-Allyl-3-methyl-piperidin-3-yl)-phenol | 3-(1-...)
Show SMILES CC1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C15H21NO/c1-3-9-16-10-5-8-15(2,12-16)13-6-4-7-14(17)11-13/h3-4,6-7,11,17H,1,5,8-10,12H2,2H3
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n/an/an/a 24n/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))		BDBM50021327
PNG
(3-(1,3-Dimethyl-piperidin-3-yl)-phenol | 3-(1,3-Di...)
Show SMILES CN1CCCC(C)(C1)c1cccc(O)c1
Show InChI InChI=1S/C13H19NO/c1-13(7-4-8-14(2)10-13)11-5-3-6-12(15)9-11/h3,5-6,9,15H,4,7-8,10H2,1-2H3
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n/an/an/a 132n/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
* indicates data uncertainty>20%