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SMILES: Cc1sc2ccccc2c1-c1cc(nn1C)C(N)=O

InChI Key: InChIKey=ZIDQRKYURLLNPQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031112   
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
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031112
PNG
(CHEMBL3337982)
Show SMILES Cc1sc2ccccc2c1-c1cc(nn1C)C(N)=O |(18.5,-9.27,;18.5,-7.73,;17.25,-6.82,;17.73,-5.36,;16.96,-4.04,;17.72,-2.7,;19.26,-2.7,;20.03,-4.03,;19.27,-5.36,;19.75,-6.82,;21.21,-7.3,;21.68,-8.77,;23.22,-8.78,;23.7,-7.31,;22.46,-6.4,;22.46,-4.86,;24.12,-10.03,;25.65,-9.88,;23.49,-11.43,)|
Show InChI InChI=1S/C14H13N3OS/c1-8-13(9-5-3-4-6-12(9)19-8)11-7-10(14(15)18)16-17(11)2/h3-7H,1-2H3,(H2,15,18)
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Article
PubMed
n/an/a 851n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair