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BDBM50362867 CHEMBL1940403

SMILES: OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=FGTGRXMIFIZGBG-UHFFFAOYSA-N

Data: 21 KI  2 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50362867   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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2.10n/an/an/an/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
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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2.10n/an/an/an/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
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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2.40n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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5.30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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8.80n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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27n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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49n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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72n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]DOI from human 5HT2A receptor after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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74n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H] 8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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93n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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113n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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115n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human histamine H1 receptor by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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160n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human Serotonin transporter by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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182n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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248n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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317n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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497n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR12935 from human dopamine transporter by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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790n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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1.04E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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2.25E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human Norepinephrine transporter by liquid scintillation counting


Bioorg Med Chem Lett 24: 4294-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.018
BindingDB Entry DOI: 10.7270/Q2222WF8
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from rat 5HT2C receptor by liquid scintillation counting


Bioorg Med Chem 20: 1291-7 (2012)


Article DOI: 10.1016/j.bmc.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Q52Q26
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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Article
PubMed
n/an/an/a 1.90n/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
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50362867
PNG
(CHEMBL1940403)
Show SMILES OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNOS/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.90n/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
More data for this
Ligand-Target Pair