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BDBM50126703 CHEMBL27051::Isoquinoline-5-sulfonic acid 4-{(S)-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-[4-(4-nitro-benzyl)-piperazin-1-yl]-3-oxo-propyl}-phenyl ester

SMILES: CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1)S(=O)(=O)c1cccc2cnccc12

InChI Key: InChIKey=RMQWKDYPSCQVRW-BHVANESWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126703   
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
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50126703
PNG
(CHEMBL27051 | Isoquinoline-5-sulfonic acid 4-{(S)-...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C39H36N6O8S2/c1-42(54(49,50)37-6-2-4-30-25-40-18-16-34(30)37)36(39(46)44-22-20-43(21-23-44)27-29-8-12-32(13-9-29)45(47)48)24-28-10-14-33(15-11-28)53-55(51,52)38-7-3-5-31-26-41-19-17-35(31)38/h2-19,25-26,36H,20-24,27H2,1H3/t36-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes

J Med Chem 46: 1318-29 (2003)


Article DOI: 10.1021/jm021049d
BindingDB Entry DOI: 10.7270/Q2JD4W57
More data for this
Ligand-Target Pair