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SMILES: COc1cc(ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1)N1CCNC(=O)C1

InChI Key: InChIKey=XAHWWBWPTULGRD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381308   
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))		BDBM50381308
PNG
(CHEMBL2019122)
Show SMILES COc1cc(ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1)N1CCNC(=O)C1
Show InChI InChI=1S/C22H25N5O3S/c1-30-16-11-14(27-10-9-23-17(28)12-27)7-8-15(16)20-24-21(29)18-19(26-31-22(18)25-20)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,23,28)(H,24,25,29)
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n/an/a 15n/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