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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
P2X purinoceptor 7 (Homo sapiens (Human)) | BDBM50126720 ((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
P2X purinoceptor 7 (Homo sapiens (Human)) | BDBM50126720 ((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium influx | J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 7 (Homo sapiens (Human)) | BDBM50126720 ((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
Università di Ferrara Curated by ChEMBL | Assay Description Maximum binding affinity towards P2X purinoceptor 7 expressed in HEK 293 cells | Bioorg Med Chem Lett 14: 5709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.07.095 BindingDB Entry DOI: 10.7270/Q2ZW1KCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 7 (Homo sapiens (Human)) | BDBM50126720 ((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
Università di Ferrara Curated by ChEMBL | Assay Description Equilibrium constant for P2X purinoceptor 7 expressed in HEK 293 cells at 1 uM | Bioorg Med Chem Lett 14: 5709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.07.095 BindingDB Entry DOI: 10.7270/Q2ZW1KCM | |||||||||||
More data for this Ligand-Target Pair |