BDBM50499502 CHEMBL3740237

SMILES: COc1cc(Br)c(NC(=O)C2=CNC(=O)C[C@H]2c2cccc(F)c2)cc1OC

InChI Key: InChIKey=IIOWXVRMSLPBEY-ZDUSSCGKSA-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 = 50499502   

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))	BDBM50499502 (CHEMBL3740237) Show SMILES COc1cc(Br)c(NC(=O)C2=CNC(=O)C[C@H]2c2cccc(F)c2)cc1OC |r,t:10| Show InChI InChI=1S/C20H18BrFN2O4/c1-27-17-8-15(21)16(9-18(17)28-2)24-20(26)14-10-23-19(25)7-13(14)11-4-3-5-12(22)6-11/h3-6,8-10,13H,7H2,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in human whole blood assessed as inhibition of LPS-induced IL-1beta production incubated for 30 mins followed by ATP add...				J Med Chem 58: 8413-26 (2015) Article DOI: 10.1021/acs.jmedchem.5b00365 BindingDB Entry DOI: 10.7270/Q2QZ2DZ2
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499502 (CHEMBL3740237) Show SMILES COc1cc(Br)c(NC(=O)C2=CNC(=O)C[C@H]2c2cccc(F)c2)cc1OC |r,t:10| Show InChI InChI=1S/C20H18BrFN2O4/c1-27-17-8-15(21)16(9-18(17)28-2)24-20(26)14-10-23-19(25)7-13(14)11-4-3-5-12(22)6-11/h3-6,8-10,13H,7H2,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in BzATP-stimulated human 1321N1 cells incubated for 20 mins followed by BzATP stimulation measured ever...				J Med Chem 58: 8413-26 (2015) Article DOI: 10.1021/acs.jmedchem.5b00365 BindingDB Entry DOI: 10.7270/Q2QZ2DZ2
					More data for this Ligand-Target Pair