BDBM50536402 CHEMBL4594110

SMILES: CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1

InChI Key: InChIKey=LTENGWVQTRLEGO-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 = 50536402   

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))	BDBM50536402 (CHEMBL4594110) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1 Show InChI InChI=1S/C29H26N4O6S2/c1-40(35,36)23-8-5-20(6-9-23)29(34)33-15-12-19(13-16-33)28-31-25-10-7-22(17-26(25)32-28)39-41(37,38)27-4-2-3-21-18-30-14-11-24(21)27/h2-11,14,17-19H,12-13,15-16H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	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 in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536402 (CHEMBL4594110) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1 Show InChI InChI=1S/C29H26N4O6S2/c1-40(35,36)23-8-5-20(6-9-23)29(34)33-15-12-19(13-16-33)28-31-25-10-7-22(17-26(25)32-28)39-41(37,38)27-4-2-3-21-18-30-14-11-24(21)27/h2-11,14,17-19H,12-13,15-16H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	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 expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690
					More data for this Ligand-Target Pair