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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50293231   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50293231
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)c1cccc(C)n1
Show InChI InChI=1S/C26H31ClN4O5S/c1-7-30(25-10-8-9-18(2)28-25)26(32)17-31(22-15-19(29(3)4)11-13-21(22)27)37(33,34)20-12-14-23(35-5)24(16-20)36-6/h8-16H,7,17H2,1-6H3
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PC cid
PC sid
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Article
PubMed
n/an/a 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/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM50293231
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)c1cccc(C)n1
Show InChI InChI=1S/C26H31ClN4O5S/c1-7-30(25-10-8-9-18(2)28-25)26(32)17-31(22-15-19(29(3)4)11-13-21(22)27)37(33,34)20-12-14-23(35-5)24(16-20)36-6/h8-16H,7,17H2,1-6H3
PDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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