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BDBM50362858 CHEMBL1940413

SMILES: Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1

InChI Key: InChIKey=DFNAAFSXZVGDBJ-UHFFFAOYSA-N

Data: 8 KI

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 8 hits for monomerid = 50362858   
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
Dopamine receptor


(RAT)
BDBM50362858
PNG
(CHEMBL1940413)
Show SMILES Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2O/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-4-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
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5.60n/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
Dopamine receptor


(RAT)
BDBM50362858
PNG
(CHEMBL1940413)
Show SMILES Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2O/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-4-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
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Article
PubMed
5.60n/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 PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50362858
PNG
(CHEMBL1940413)
Show SMILES Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2O/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-4-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
MMDB

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19.8n/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))
BDBM50362858
PNG
(CHEMBL1940413)
Show SMILES Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2O/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-4-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
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PC cid
PC sid
UniChem

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Article
PubMed
154n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50362858
PNG
(CHEMBL1940413)
Show SMILES Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2O/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-4-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
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Article
PubMed
447n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50362858
PNG
(CHEMBL1940413)
Show SMILES Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2O/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-4-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
447n/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 PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50362858
PNG
(CHEMBL1940413)
Show SMILES Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2O/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-4-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
726n/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 PDSP assay


Bioorg Med Chem 22: 3105-14 (2014)


Article DOI: 10.1016/j.bmc.2014.04.026
BindingDB Entry DOI: 10.7270/Q25140RW
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50362858
PNG
(CHEMBL1940413)
Show SMILES Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2O/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-4-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
726n/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