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BDBM50257568 7-(3-(2-chlorophenoxy)azetidin-1-ylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine::CHEMBL524171

SMILES: Clc1ccccc1OC1CN(C1)S(=O)(=O)c1ccc2CCNCCc2c1

InChI Key: InChIKey=XEGCYPFNZWBXQK-UHFFFAOYSA-N

Data: 1 KI  2 EC50

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 3 hits for monomerid = 50257568   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257568
PNG
(7-(3-(2-chlorophenoxy)azetidin-1-ylsulfonyl)-2,3,4...)
Show SMILES Clc1ccccc1OC1CN(C1)S(=O)(=O)c1ccc2CCNCCc2c1
Show InChI InChI=1S/C19H21ClN2O3S/c20-18-3-1-2-4-19(18)25-16-12-22(13-16)26(23,24)17-6-5-14-7-9-21-10-8-15(14)11-17/h1-6,11,16,21H,7-10,12-13H2
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.41E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 1871-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.071
BindingDB Entry DOI: 10.7270/Q2GB23XH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50257568
PNG
(7-(3-(2-chlorophenoxy)azetidin-1-ylsulfonyl)-2,3,4...)
Show SMILES Clc1ccccc1OC1CN(C1)S(=O)(=O)c1ccc2CCNCCc2c1
Show InChI InChI=1S/C19H21ClN2O3S/c20-18-3-1-2-4-19(18)25-16-12-22(13-16)26(23,24)17-6-5-14-7-9-21-10-8-15(14)11-17/h1-6,11,16,21H,7-10,12-13H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>9.94E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2B receptor by cell-based system


Bioorg Med Chem Lett 19: 1871-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.071
BindingDB Entry DOI: 10.7270/Q2GB23XH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257568
PNG
(7-(3-(2-chlorophenoxy)azetidin-1-ylsulfonyl)-2,3,4...)
Show SMILES Clc1ccccc1OC1CN(C1)S(=O)(=O)c1ccc2CCNCCc2c1
Show InChI InChI=1S/C19H21ClN2O3S/c20-18-3-1-2-4-19(18)25-16-12-22(13-16)26(23,24)17-6-5-14-7-9-21-10-8-15(14)11-17/h1-6,11,16,21H,7-10,12-13H2
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 31n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 1871-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.071
BindingDB Entry DOI: 10.7270/Q2GB23XH
More data for this
Ligand-Target Pair