BDBM50126720 (S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-o-tolylpiperazin-1-yl)propyl)phenyl isoquinoline-5-sulfonate::CHEMBL28262::Isoquinoline-5-sulfonic acid 4-[(S)-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-3-(4-o-tolyl-piperazin-1-yl)-propyl]-phenyl ester

SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1C)S(=O)(=O)c1cccc2cnccc12

InChI Key InChIKey=SECQAHZZZRTBKM-BHVANESWSA-N

Data  2 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50126720   

TargetP2X purinoceptor 7(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50126720((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...)
Affinity DataIC50:  15nMAssay Description:Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50126720((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...)
Affinity DataIC50:  15.8nMAssay Description:Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium influxMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50126720((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...)
Affinity DataKd:  3.60nMAssay Description:Maximum binding affinity towards P2X purinoceptor 7 expressed in HEK 293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50126720((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...)
Affinity DataKd:  3.60nMAssay Description:Equilibrium constant for P2X purinoceptor 7 expressed in HEK 293 cells at 1 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed