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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GPR24' and Ligand = 'BDBM50219052'   
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
GPR24


(RAT)
BDBM50219052
PNG
(2-methyl-N-[3-(1-{3-[3-(trifluoromethyl)phenoxy]be...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2cccc(Oc3cccc(c3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C29H31F3N2O2/c1-20(2)28(35)33-25-9-4-7-23(17-25)22-12-14-34(15-13-22)19-21-6-3-10-26(16-21)36-27-11-5-8-24(18-27)29(30,31)32/h3-11,16-18,20,22H,12-15,19H2,1-2H3,(H,33,35)
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
65n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219052
PNG
(2-methyl-N-[3-(1-{3-[3-(trifluoromethyl)phenoxy]be...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2cccc(Oc3cccc(c3)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C29H31F3N2O2/c1-20(2)28(35)33-25-9-4-7-23(17-25)22-12-14-34(15-13-22)19-21-6-3-10-26(16-21)36-27-11-5-8-24(18-27)29(30,31)32/h3-11,16-18,20,22H,12-15,19H2,1-2H3,(H,33,35)
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KEGG

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat MCH1 receptor expressed in HEK293 cells by FLIPR calcium mobility assay


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair