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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50039868   
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
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50385393
PNG
(CHEMBL2036415)
Show SMILES CN1C[C@@H]2CN(C[C@H]12)c1ccc(nc1)-c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1S/C19H20N4/c1-22-10-15-11-23(12-19(15)22)16-3-5-18(21-9-16)13-2-4-17-14(8-13)6-7-20-17/h2-9,15,19-20H,10-12H2,1H3/t15-,19+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nAChR from rat brain membrane with no cerebellum/cortex


Bioorg Med Chem 20: 3698-702 (2012)


Article DOI: 10.1016/j.bmc.2012.04.056
BindingDB Entry DOI: 10.7270/Q22R3SQW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50385392
PNG
(CHEMBL2036416)
Show SMILES CN1C[C@H]2CN(C[C@@H]12)c1ccc(nc1)-c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1S/C19H20N4/c1-22-10-15-11-23(12-19(15)22)16-3-5-18(21-9-16)13-2-4-17-14(8-13)6-7-20-17/h2-9,15,19-20H,10-12H2,1H3/t15-,19+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nAChR from rat brain membrane with no cerebellum/cortex


Bioorg Med Chem 20: 3698-702 (2012)


Article DOI: 10.1016/j.bmc.2012.04.056
BindingDB Entry DOI: 10.7270/Q22R3SQW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50385393
PNG
(CHEMBL2036415)
Show SMILES CN1C[C@@H]2CN(C[C@H]12)c1ccc(nc1)-c1ccc2[nH]ccc2c1 |r|
Show InChI InChI=1S/C19H20N4/c1-22-10-15-11-23(12-19(15)22)16-3-5-18(21-9-16)13-2-4-17-14(8-13)6-7-20-17/h2-9,15,19-20H,10-12H2,1H3/t15-,19+/m1/s1
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Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG


Bioorg Med Chem 20: 3698-702 (2012)


Article DOI: 10.1016/j.bmc.2012.04.056
BindingDB Entry DOI: 10.7270/Q22R3SQW
More data for this
Ligand-Target Pair