BDBM50126710 CHEMBL28152::Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-amino-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-phenyl ester
SMILES: CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(N)cc1)S(=O)(=O)c1cccc2cnccc12
InChI Key: InChIKey=STPVTTJCRTYITC-DHUJRADRSA-N
Data: 2 IC50
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)) | BDBM50126710 (CHEMBL28152 | Isoquinoline-5-sulfonic acid 4-{(S)-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University Curated by ChEMBL | Assay Description Antagonist activity at P2X7 receptor (unknown origin) | Bioorg Med Chem 22: 54-88 (2014) Article DOI: 10.1016/j.bmc.2013.10.054 BindingDB Entry DOI: 10.7270/Q27M0BX7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 7 (Homo sapiens (Human)) | BDBM50126710 (CHEMBL28152 | Isoquinoline-5-sulfonic acid 4-{(S)-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 101 | 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 |