BDBM50075466 CHEMBL3415341

SMILES: Clc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O

InChI Key: InChIKey=KXZGQNDTTVZSJV-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 = 50075466   

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))	BDBM50075466 (CHEMBL3415341) Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C31H26Cl2N4O6S/c32-25-9-6-20(17-26(25)33)30(39)36-14-11-22(12-15-36)37-27(29(38)35-31(37)40)16-19-4-7-23(8-5-19)43-44(41,42)28-3-1-2-21-18-34-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,35,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	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 P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...				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))	BDBM50075466 (CHEMBL3415341) Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C31H26Cl2N4O6S/c32-25-9-6-20(17-26(25)33)30(39)36-14-11-22(12-15-36)37-27(29(38)35-31(37)40)16-19-4-7-23(8-5-19)43-44(41,42)28-3-1-2-21-18-34-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,35,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	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 recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...				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