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PubMed code 10229619

Compile data set for download or QSAR
Found 4 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
Acetylcholine receptor subunit delta


(Torpedo californica)		BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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 0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against Nicotinic acetylcholine receptor (nAchR)

J Med Chem 42: 1481-500 (1999)


Article DOI: 10.1021/jm9805034
BindingDB Entry DOI: 10.7270/Q2HX1DCV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50076327
PNG
(CHEMBL34663 | isobutyl 12-methoxy-5,18-dimethyl-10...)
Show SMILES COc1ccc2CC3C4CC5C(C)C(=NC5C5Oc1c2C45CCN3C)C(=O)OCC(C)C |c:13,TLB:18:19:8:23.21.22,24:23:8:19.5.6|
Show InChI InChI=1S/C26H34N2O4/c1-13(2)12-31-25(29)21-14(3)16-11-17-18-10-15-6-7-19(30-5)23-20(15)26(17,8-9-28(18)4)24(32-23)22(16)27-21/h6-7,13-14,16-18,22,24H,8-12H2,1-5H3
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 4.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Opioid receptor delta 1 agonist activity was determined

J Med Chem 42: 1481-500 (1999)


Article DOI: 10.1021/jm9805034
BindingDB Entry DOI: 10.7270/Q2HX1DCV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))		BDBM50062599
PNG
(3,5-Dimethyl-adamantan-1-ylamine | CHEMBL807 | EN3...)
Show SMILES CC12CC3CC(C)(C1)CC(N)(C3)C2 |TLB:7:1:4.5.8:11,10:9:4:2.7.1,0:1:4:8.9.11,THB:7:5:11:2.1.12,12:1:4:8.9.11,12:9:4:2.7.1,6:5:11:2.1.12|
Show InChI InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
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 700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound with the N-methyl-D-aspartate glutamate receptor blocking activity

J Med Chem 42: 1481-500 (1999)


Article DOI: 10.1021/jm9805034
BindingDB Entry DOI: 10.7270/Q2HX1DCV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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 2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 agonist activity with monoamine (NE, 5-HT) uptake-blocking activity in the 0.8-1 uM range

J Med Chem 42: 1481-500 (1999)


Article DOI: 10.1021/jm9805034
BindingDB Entry DOI: 10.7270/Q2HX1DCV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%