BDBM50374463 CHEMBL402243

SMILES: COc1ccc(CC(=O)N2CCN(CC2C(C)(C)C)C(NC#N)=Nc2ccccc2C)cc1OC

InChI Key: InChIKey=ITTCMJKZDOEMMP-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 = 50374463   

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 (P2X7) (Rattus norvegicus (Rat))	BDBM50374463 (CHEMBL402243) Show SMILES COc1ccc(CC(=O)N2CCN(CC2C(C)(C)C)C(NC#N)=Nc2ccccc2C)cc1OC |w:23.24| Show InChI InChI=1S/C27H35N5O3/c1-19-9-7-8-10-21(19)30-26(29-18-28)31-13-14-32(24(17-31)27(2,3)4)25(33)16-20-11-12-22(34-5)23(15-20)35-6/h7-12,15,24H,13-14,16-17H2,1-6H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 2093-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.094 BindingDB Entry DOI: 10.7270/Q2HH6KXV
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50374463 (CHEMBL402243) Show SMILES COc1ccc(CC(=O)N2CCN(CC2C(C)(C)C)C(NC#N)=Nc2ccccc2C)cc1OC |w:23.24| Show InChI InChI=1S/C27H35N5O3/c1-19-9-7-8-10-21(19)30-26(29-18-28)31-13-14-32(24(17-31)27(2,3)4)25(33)16-20-11-12-22(34-5)23(15-20)35-6/h7-12,15,24H,13-14,16-17H2,1-6H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 2093-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.094 BindingDB Entry DOI: 10.7270/Q2HH6KXV
					More data for this Ligand-Target Pair