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Compile Data Set for Download or QSAR

Found 4 hits of kd for monomerid = 21398   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/an/a 0.490n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay


J Med Chem 62: 9488-9520 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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Article
PubMed
n/an/an/a 0.490n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay


J Med Chem 62: 9488-9520 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00864
BindingDB Entry DOI: 10.7270/Q2NP27WQ
More data for this
Ligand-Target Pair
HLA class I histocompatibility antigen, A alpha chain


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/an/a<1.00E+4n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human biotinylated HLA-A2 by surface plasmon resonance assay


Bioorg Med Chem Lett 28: 2837-2841 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.036
BindingDB Entry DOI: 10.7270/Q2445Q4M
More data for this
Ligand-Target Pair
Albumin


(Rattus norvegicus)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/an/a 9.69E+4n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to Wistar rat serum albumin


Drug Metab Dispos 39: 312-21 (2011)


Article DOI: 10.1124/dmd.110.036095
BindingDB Entry DOI: 10.7270/Q2J104Z4
More data for this
Ligand-Target Pair