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BDBM50363896 CHEMBL1946253

SMILES: Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=FVMDOYQNOWAVCQ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50363896   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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UniProtKB/TrEMBL

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Article
PubMed
91n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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123n/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


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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PubMed
139n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
PDB
MMDB

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510n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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PubMed
1.25E+3n/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 counter


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.04E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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PC cid
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UniChem

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Article
PubMed
4.10E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2C receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair