BDBM50230072 (S)-tert-butyl 4-(3-(4-(isoquinolin-5-ylsulfonyloxy)phenyl)-2-(isoquinoline-5-sulfonamido)propanoyl)piperazine-1-carboxylate::CHEMBL253889

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

InChI Key: InChIKey=FZUZUIFNFGADKM-HKBQPEDESA-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 = 50230072   

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))	BDBM50230072 ((S)-tert-butyl 4-(3-(4-(isoquinolin-5-ylsulfonylox...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C36H37N5O8S2/c1-36(2,3)48-35(43)41-20-18-40(19-21-41)34(42)31(39-50(44,45)32-8-4-6-26-23-37-16-14-29(26)32)22-25-10-12-28(13-11-25)49-51(46,47)33-9-5-7-27-24-38-17-15-30(27)33/h4-17,23-24,31,39H,18-22H2,1-3H3/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor				J Med Chem 58: 2114-34 (2015) Article DOI: 10.1021/jm500324g BindingDB Entry DOI: 10.7270/Q2H133QD
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50230072 ((S)-tert-butyl 4-(3-(4-(isoquinolin-5-ylsulfonylox...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C36H37N5O8S2/c1-36(2,3)48-35(43)41-20-18-40(19-21-41)34(42)31(39-50(44,45)32-8-4-6-26-23-37-16-14-29(26)32)22-25-10-12-28(13-11-25)49-51(46,47)33-9-5-7-27-24-38-17-15-30(27)33/h4-17,23-24,31,39H,18-22H2,1-3H3/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at human purinergic P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced K(+) efflux				Bioorg Med Chem Lett 18: 571-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.077 BindingDB Entry DOI: 10.7270/Q2M61K0P
					More data for this Ligand-Target Pair