BDBM50126705 (S)-4-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-(isoquinoline-5-sulfonamido)-3-oxopropyl)phenyl isoquinoline-5-sulfonate::CHEMBL282552::Isoquinoline-5-sulfonic acid 4-[(S)-3-[4-(4-fluoro-phenyl)-piperazin-1-yl]-2-(isoquinoline-5-sulfonylamino)-3-oxo-propyl]-phenyl ester

SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12

InChI Key: InChIKey=DEIVZYSWQNRKDK-UMSFTDKQSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50126705   

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))	BDBM50126705 ((S)-4-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-(iso...) Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C37H32FN5O6S2/c38-29-9-11-30(12-10-29)42-19-21-43(22-20-42)37(44)34(41-50(45,46)35-5-1-3-27-24-39-17-15-32(27)35)23-26-7-13-31(14-8-26)49-51(47,48)36-6-2-4-28-25-40-18-16-33(28)36/h1-18,24-25,34,41H,19-23H2/t34-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31	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))	BDBM50126705 ((S)-4-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-(iso...) Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C37H32FN5O6S2/c38-29-9-11-30(12-10-29)42-19-21-43(22-20-42)37(44)34(41-50(45,46)35-5-1-3-27-24-39-17-15-32(27)35)23-26-7-13-31(14-8-26)49-51(47,48)36-6-2-4-28-25-40-18-16-33(28)36/h1-18,24-25,34,41H,19-23H2/t34-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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