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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 50000354,50001081,50002497   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vesicular acetylcholine transporter


(Rattus norvegicus)
BDBM50389432
PNG
(CHEMBL2064618)
Show SMILES OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(CC1)c1ccccc1I |r|
Show InChI InChI=1S/C21H30INO/c22-19-8-4-3-7-18(19)15-9-11-23(12-10-15)20-13-16-5-1-2-6-17(16)14-21(20)24/h3-4,7-8,15-17,20-21,24H,1-2,5-6,9-14H2/t16-,17-,20?,21?/m0/s1
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n/an/an/a 1.73n/an/an/an/an/a



Kanazawa University

Curated by ChEMBL


Assay Description
Binding affinity to VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting in presence of haloperidol


Bioorg Med Chem 20: 4936-41 (2012)


Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50292902
PNG
((2R,3R)-3-(4-(aminomethyl)-4-phenylpiperidin-1-yl)...)
Show SMILES NCC1(CCN(CC1)[C@@H]1Cc2c(I)cccc2C[C@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C22H27IN2O/c23-19-8-4-5-16-13-21(26)20(14-18(16)19)25-11-9-22(15-24,10-12-25)17-6-2-1-3-7-17/h1-8,20-21,26H,9-15,24H2/t20-,21-/m1/s1
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n/an/an/a 3n/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry


J Med Chem 52: 1358-69 (2009)


Article DOI: 10.1021/jm8012344
BindingDB Entry DOI: 10.7270/Q26W9B3B
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Rattus norvegicus)
BDBM50009602
PNG
(2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | CHEMBL8...)
Show SMILES O[C@@H]1CCCCC1N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16?,17-/m1/s1
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n/an/an/a 7.40n/an/an/an/an/a



Kanazawa University

Curated by ChEMBL


Assay Description
Binding affinity to VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting in presence of DTG


Bioorg Med Chem 20: 4936-41 (2012)


Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Rattus norvegicus)
BDBM50389434
PNG
(CHEMBL2064619)
Show SMILES O[C@@H]1CCCCC1N1CCC(CC1)c1ccccc1I |r|
Show InChI InChI=1S/C17H24INO/c18-15-6-2-1-5-14(15)13-9-11-19(12-10-13)16-7-3-4-8-17(16)20/h1-2,5-6,13,16-17,20H,3-4,7-12H2/t16?,17-/m1/s1
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Article
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n/an/an/a 17.4n/an/an/an/an/a



Kanazawa University

Curated by ChEMBL


Assay Description
Binding affinity to VAChT in rat cerebral membrane


Bioorg Med Chem 20: 4936-41 (2012)


Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN
More data for this
Ligand-Target Pair