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PubMed code 8355251

Compile data set for download or QSAR
Found 8 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
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50044427
PNG
(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexade...)
Show SMILES C[C@]12N[C@H](Cc3ccc(cc13)N=C=S)c1ccccc21
Show InChI InChI=1S/C17H14N2S/c1-17-14-5-3-2-4-13(14)16(19-17)8-11-6-7-12(18-10-20)9-15(11)17/h2-7,9,16,19H,8H2,1H3/t16-,17-/m1/s1
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4.82E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for invitro inhibition of the displacement of (+)-[3H]-pentazocine from sigma opioid receptor


J Med Chem 36: 2499-507 (1993)


BindingDB Entry DOI: 10.7270/Q2V69HNK
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50044427
PNG
(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexade...)
Show SMILES C[C@]12N[C@H](Cc3ccc(cc13)N=C=S)c1ccccc21
Show InChI InChI=1S/C17H14N2S/c1-17-14-5-3-2-4-13(14)16(19-17)8-11-6-7-12(18-10-20)9-15(11)17/h2-7,9,16,19H,8H2,1H3/t16-,17-/m1/s1
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6.95E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for invitro inhibition of the displacement of [3H]-mazindol from GABA receptor


J Med Chem 36: 2499-507 (1993)


BindingDB Entry DOI: 10.7270/Q2V69HNK
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50000663
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15?,16-/m0/s1
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PubMed
4.09E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for invitro inhibition of the displacement of [3H]-mazindol from GABA receptor


J Med Chem 36: 2499-507 (1993)


BindingDB Entry DOI: 10.7270/Q2V69HNK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50000663
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15?,16-/m0/s1
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5.92E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for invitro inhibition of the displacement of (+)-[3H]-pentazocine from sigma opioid receptor


J Med Chem 36: 2499-507 (1993)


BindingDB Entry DOI: 10.7270/Q2V69HNK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50044427
PNG
(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexade...)
Show SMILES C[C@]12N[C@H](Cc3ccc(cc13)N=C=S)c1ccccc21
Show InChI InChI=1S/C17H14N2S/c1-17-14-5-3-2-4-13(14)16(19-17)8-11-6-7-12(18-10-20)9-15(11)17/h2-7,9,16,19H,8H2,1H3/t16-,17-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition of the displacement of [3H]quinuclidinyl benzilate muscarinic receptor


J Med Chem 36: 2499-507 (1993)


BindingDB Entry DOI: 10.7270/Q2V69HNK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50044427
PNG
(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexade...)
Show SMILES C[C@]12N[C@H](Cc3ccc(cc13)N=C=S)c1ccccc21
Show InChI InChI=1S/C17H14N2S/c1-17-14-5-3-2-4-13(14)16(19-17)8-11-6-7-12(18-10-20)9-15(11)17/h2-7,9,16,19H,8H2,1H3/t16-,17-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for invitro inhibition of the displacement of [3H]-FOXY from mu opioid receptor


J Med Chem 36: 2499-507 (1993)


BindingDB Entry DOI: 10.7270/Q2V69HNK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000663
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15?,16-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for invitro inhibition of the displacement of [3H]-FOXY from mu opioid receptor


J Med Chem 36: 2499-507 (1993)


BindingDB Entry DOI: 10.7270/Q2V69HNK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50000663
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15?,16-/m0/s1
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition of the displacement of [3H]QNB from CNS receptor


J Med Chem 36: 2499-507 (1993)


BindingDB Entry DOI: 10.7270/Q2V69HNK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%