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BDBM50044623 CHEMBL193400

SMILES: Clc1cccc(c1)S(=O)(=O)n1ccc2c(N3CCNCC3)c(Cl)ccc12

InChI Key: InChIKey=IAOGIUYLCUOQQA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50044623   
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 6


(Homo sapiens (Human))
BDBM50044623
PNG
(CHEMBL193400)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(N3CCNCC3)c(Cl)ccc12
Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-2-1-3-14(12-13)26(24,25)23-9-6-15-17(23)5-4-16(20)18(15)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2
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0.300n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044623
PNG
(CHEMBL193400)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(N3CCNCC3)c(Cl)ccc12
Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-2-1-3-14(12-13)26(24,25)23-9-6-15-17(23)5-4-16(20)18(15)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044623
PNG
(CHEMBL193400)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(N3CCNCC3)c(Cl)ccc12
Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-2-1-3-14(12-13)26(24,25)23-9-6-15-17(23)5-4-16(20)18(15)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2
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Article
PubMed
7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 6 receptor of human caudate


Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50044623
PNG
(CHEMBL193400)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(N3CCNCC3)c(Cl)ccc12
Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-2-1-3-14(12-13)26(24,25)23-9-6-15-17(23)5-4-16(20)18(15)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2
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Article
PubMed
13n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 6 receptor of rat striatum


Bioorg Med Chem Lett 15: 4867-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q
More data for this
Ligand-Target Pair