BDBM50544702 CHEMBL4639445

SMILES: COC(=O)[C@@H]1C\C(=C/NCc2ccc(Cl)cc2Cl)C(=O)N1C(=O)OC

InChI Key: InChIKey=OZRWVOAGWOSRQI-FROQITRMSA-N

Data: 1 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 1 hit for monomerid = 50544702   

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))	BDBM50544702 (CHEMBL4639445) Show SMILES COC(=O)[C@@H]1C\C(=C/NCc2ccc(Cl)cc2Cl)C(=O)N1C(=O)OC |r| Show InChI InChI=1S/C16H16Cl2N2O5/c1-24-15(22)13-5-10(14(21)20(13)16(23)25-2)8-19-7-9-3-4-11(17)6-12(9)18/h3-4,6,8,13,19H,5,7H2,1-2H3/b10-8+/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...				J Med Chem 63: 2074-2094 (2020)
					More data for this Ligand-Target Pair