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SMILES: CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccccc1C)C(C)=O

InChI Key: InChIKey=YEWJDPZUIGPDFQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125968   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50125968
PNG
(CHEMBL3627923)
Show SMILES CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccccc1C)C(C)=O |(4.26,-6.01,;5.32,-5.4,;6.39,-6.02,;5.33,-3.86,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,2.77,;2.66,.77,;4,1.54,;5.33,.77,;6.66,1.53,;6.67,3.07,;5.33,3.85,;4,3.08,;2.93,3.7,;6.66,-3.09,;7.73,-3.7,;6.66,-1.85,)|
Show InChI InChI=1S/C21H21N3O3/c1-14-8-4-7-11-19(14)24-20(12-13-23(15(2)25)16(3)26)22-18-10-6-5-9-17(18)21(24)27/h4-11H,12-13H2,1-3H3
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Similars
PubMed
 1.12E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE10A (unknown origin)

Bioorg Med Chem Lett 25: 4893-8 (2015)


BindingDB Entry DOI: 10.7270/Q2RJ4M9Z
More data for this
Ligand-Target Pair