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BDBM50293230 2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,4-dimethoxyphenylsulfonamido)-N,N-diethylacetamide::CHEMBL495732

SMILES: CCN(CC)C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=ZPBRRONLQIUFGU-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50293230   
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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50293230
PNG
(2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,...)
Show SMILES CCN(CC)C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H26ClN3O5S2/c1-6-25(7-2)22(27)13-26(18-11-16-14(3)24-32-21(16)12-17(18)23)33(28,29)15-8-9-19(30-4)20(10-15)31-5/h8-12H,6-7,13H2,1-5H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50293230
PNG
(2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,...)
Show SMILES CCN(CC)C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H26ClN3O5S2/c1-6-25(7-2)22(27)13-26(18-11-16-14(3)24-32-21(16)12-17(18)23)33(28,29)15-8-9-19(30-4)20(10-15)31-5/h8-12H,6-7,13H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX1 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
More data for this
Ligand-Target Pair