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BDBM50293232 2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimethoxyphenylsulfonamido)-N-ethyl-N-(5-methylpyrazin-2-yl)acetamide::CHEMBL498618

SMILES: CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cnc(C)cn1

InChI Key: InChIKey=ZRZRIQACDKFLPN-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50293232   
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))
BDBM50293232
PNG
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cnc(C)cn1
Show InChI InChI=1S/C25H30ClN5O5S/c1-7-30(24-15-27-17(2)14-28-24)25(32)16-31(21-12-18(29(3)4)8-10-20(21)26)37(33,34)19-9-11-22(35-5)23(13-19)36-6/h8-15H,7,16H2,1-6H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/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))
BDBM50293232
PNG
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cnc(C)cn1
Show InChI InChI=1S/C25H30ClN5O5S/c1-7-30(24-15-27-17(2)14-28-24)25(32)16-31(21-12-18(29(3)4)8-10-20(21)26)37(33,34)19-9-11-22(35-5)23(13-19)36-6/h8-15H,7,16H2,1-6H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/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