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SMILES: COc1cc(N)ccc1-c1nc2snc(-c3c(F)cccc3F)c2c(=O)[nH]1

InChI Key: InChIKey=KKCDZYUHCUUMCQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381315   
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))		BDBM50381315
PNG
(CHEMBL2019132)
Show SMILES COc1cc(N)ccc1-c1nc2snc(-c3c(F)cccc3F)c2c(=O)[nH]1 |(13.71,-27.02,;15.04,-26.25,;16.37,-27.03,;17.7,-26.26,;19.04,-27.03,;20.38,-26.27,;19.04,-28.57,;17.7,-29.34,;16.37,-28.56,;15.04,-29.32,;13.71,-28.55,;12.38,-29.32,;10.91,-28.84,;10,-30.09,;10.91,-31.34,;10.44,-32.8,;8.93,-33.12,;7.9,-31.97,;8.45,-34.58,;9.49,-35.73,;11,-35.4,;11.47,-33.94,;12.8,-34.71,;12.38,-30.86,;13.71,-31.63,;13.71,-33.17,;15.04,-30.86,)|
Show InChI InChI=1S/C18H12F2N4O2S/c1-26-12-7-8(21)5-6-9(12)16-22-17(25)14-15(24-27-18(14)23-16)13-10(19)3-2-4-11(13)20/h2-7H,21H2,1H3,(H,22,23,25)
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n/an/a 30n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-cAMP from human recombinant PDE7A

Bioorg Med Chem Lett 22: 3223-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.025
BindingDB Entry DOI: 10.7270/Q2NP25F2
More data for this
Ligand-Target Pair