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BDBM50292977 2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-diethylacetamide::CHEMBL510425

SMILES: CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=XYNNXNVPFFLPEB-UHFFFAOYSA-N

Data: 4 IC50

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 = 50292977   
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 1


(Homo sapiens (Human))
BDBM50292977
PNG
(2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-d...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H28N2O5S/c1-6-22(7-2)21(24)15-23(17-10-8-16(3)9-11-17)29(25,26)18-12-13-19(27-4)20(14-18)28-5/h8-14H,6-7,15H2,1-5H3
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor by FLIPR


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50292977
PNG
(2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-d...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H28N2O5S/c1-6-22(7-2)21(24)15-23(17-10-8-16(3)9-11-17)29(25,26)18-12-13-19(27-4)20(14-18)28-5/h8-14H,6-7,15H2,1-5H3
PDB

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 19n/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))
BDBM50292977
PNG
(2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-d...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H28N2O5S/c1-6-22(7-2)21(24)15-23(17-10-8-16(3)9-11-17)29(25,26)18-12-13-19(27-4)20(14-18)28-5/h8-14H,6-7,15H2,1-5H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50292977
PNG
(2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-d...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H28N2O5S/c1-6-22(7-2)21(24)15-23(17-10-8-16(3)9-11-17)29(25,26)18-12-13-19(27-4)20(14-18)28-5/h8-14H,6-7,15H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at OX2 receptor by FLIPR


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair