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SMILES: Cc1cccc2c1[nH]c(=S)n(-c1ccccc1Br)c2=O

InChI Key: InChIKey=JHZBCNBXKITSRK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359736   
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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50359736
PNG
(CHEMBL1927721)
Show SMILES Cc1cccc2c1[nH]c(=S)n(-c1ccccc1Br)c2=O |(32.64,-2.62,;32.64,-1.08,;31.31,-.31,;31.31,1.24,;32.64,2.01,;33.97,1.24,;33.98,-.31,;35.32,-1.08,;36.66,-.3,;38,-1.07,;36.65,1.25,;37.98,2.03,;37.98,3.56,;39.3,4.34,;40.64,3.57,;40.65,2.03,;39.32,1.26,;39.32,-.28,;35.3,2.03,;35.3,3.57,)|
Show InChI InChI=1S/C15H11BrN2OS/c1-9-5-4-6-10-13(9)17-15(20)18(14(10)19)12-8-3-2-7-11(12)16/h2-8H,1H3,(H,17,20)
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MMDB

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n/an/a 1.70E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of PDE7A assessed as hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay

Eur J Med Chem 47: 175-85 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.040
BindingDB Entry DOI: 10.7270/Q20G3KJS
More data for this
Ligand-Target Pair