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PubMed code 12459018

Compile data set for download or QSAR
Found 6 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
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121640
PNG
(2-[2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CC(C(O)=O)c2ccccc2C1
Show InChI InChI=1S/C23H28N2O4/c1-14-9-17(26)10-15(2)19(14)11-21(24(3)4)22(27)25-12-16-7-5-6-8-18(16)20(13-25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20?,21-/m0/s1
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 0.120n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound towards the Opioid receptor delta 1 in rat synaptosomal membrane was determined using [3H]-DPDPE as radioligand

J Med Chem 45: 5506-13 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44DF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121639
PNG
(1-[3-(Adamantan-1-ylamino)-3,4-dihydro-1H-isoquino...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2 |TLB:34:29:36:33.35.32,34:33:36:29.28.30,THB:32:33:28:31.36.30,32:31:28:33.35.34|
Show InChI InChI=1S/C32H43N3O2/c1-20-9-27(36)10-21(2)28(20)15-29(34(3)4)31(37)35-19-26-8-6-5-7-25(26)14-30(35)33-32-16-22-11-23(17-32)13-24(12-22)18-32/h5-10,22-24,29-30,33,36H,11-19H2,1-4H3/t22?,23?,24?,29-,30?,32?/m0/s1
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 0.160n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound towards the Opioid receptor delta 1 in rat synaptosomal membrane was determined using [3H]-DPDPE as radioligand

J Med Chem 45: 5506-13 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44DF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121638
PNG
(1-[3-(Adamantan-1-ylamino)-3,4-dihydro-1H-isoquino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2 |TLB:28:29:33:27.26.32,THB:28:27:33:29.34.30,30:29:26:31.33.32,30:31:26:29.34.28|
Show InChI InChI=1S/C30H39N3O2/c1-18-7-25(34)8-19(2)26(18)13-27(31)29(35)33-17-24-6-4-3-5-23(24)12-28(33)32-30-14-20-9-21(15-30)11-22(10-20)16-30/h3-8,20-22,27-28,32,34H,9-17,31H2,1-2H3/t20?,21?,22?,27-,28?,30?/m0/s1
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 0.260n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound towards the Opioid receptor delta 1 in rat synaptosomal membrane was determined using [3H]-DPDPE as radioligand

J Med Chem 45: 5506-13 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44DF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121638
PNG
(1-[3-(Adamantan-1-ylamino)-3,4-dihydro-1H-isoquino...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2 |TLB:28:29:33:27.26.32,THB:28:27:33:29.34.30,30:29:26:31.33.32,30:31:26:29.34.28|
Show InChI InChI=1S/C30H39N3O2/c1-18-7-25(34)8-19(2)26(18)13-27(31)29(35)33-17-24-6-4-3-5-23(24)12-28(33)32-30-14-20-9-21(15-30)11-22(10-20)16-30/h3-8,20-22,27-28,32,34H,9-17,31H2,1-2H3/t20?,21?,22?,27-,28?,30?/m0/s1
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 0.760n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound towards the Opioid receptor mu 1 in rat synaptosomal membrane was determined using [3H]-DAGO as radioligand

J Med Chem 45: 5506-13 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44DF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121639
PNG
(1-[3-(Adamantan-1-ylamino)-3,4-dihydro-1H-isoquino...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1NC12CC3CC(CC(C3)C1)C2 |TLB:34:29:36:33.35.32,34:33:36:29.28.30,THB:32:33:28:31.36.30,32:31:28:33.35.34|
Show InChI InChI=1S/C32H43N3O2/c1-20-9-27(36)10-21(2)28(20)15-29(34(3)4)31(37)35-19-26-8-6-5-7-25(26)14-30(35)33-32-16-22-11-23(17-32)13-24(12-22)18-32/h5-10,22-24,29-30,33,36H,11-19H2,1-4H3/t22?,23?,24?,29-,30?,32?/m0/s1
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 1.12n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound towards the Opioid receptor mu 1 in rat synaptosomal membrane was determined using [3H]-DAGO as radioligand

J Med Chem 45: 5506-13 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44DF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121640
PNG
(2-[2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CC(C(O)=O)c2ccccc2C1
Show InChI InChI=1S/C23H28N2O4/c1-14-9-17(26)10-15(2)19(14)11-21(24(3)4)22(27)25-12-16-7-5-6-8-18(16)20(13-25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20?,21-/m0/s1
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 2.44E+3n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound towards the Opioid receptor mu 1 in rat synaptosomal membrane was determined using [3H]-DAGO as radioligand

J Med Chem 45: 5506-13 (2002)


BindingDB Entry DOI: 10.7270/Q2DN44DF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%