BDBM50216402 CHEMBL230925::N-(2-(4-(4-nitrophenyl)piperazin-1-yl)-2-oxoethyl)isoquinoline-5-sulfonamide::isoquinolinesulfon-5-yl-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}amide

SMILES: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12

InChI Key: InChIKey=CVRRTVCXZFPDPX-UHFFFAOYSA-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 = 50216402   

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))	BDBM50216402 (CHEMBL230925 | N-(2-(4-(4-nitrophenyl)piperazin-1-...) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C21H21N5O5S/c27-21(15-23-32(30,31)20-3-1-2-16-14-22-9-8-19(16)20)25-12-10-24(11-13-25)17-4-6-18(7-5-17)26(28)29/h1-9,14,23H,10-13,15H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	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))	BDBM50216402 (CHEMBL230925 | N-(2-(4-(4-nitrophenyl)piperazin-1-...) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C21H21N5O5S/c27-21(15-23-32(30,31)20-3-1-2-16-14-22-9-8-19(16)20)25-12-10-24(11-13-25)17-4-6-18(7-5-17)26(28)29/h1-9,14,23H,10-13,15H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx				J Med Chem 50: 3706-15 (2007) Article DOI: 10.1021/jm070443e BindingDB Entry DOI: 10.7270/Q2PN95CS
					More data for this Ligand-Target Pair