BDBM50374475 CHEMBL403965

SMILES: Cc1ccn(CC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)n1

InChI Key: InChIKey=YPKYYMCYYMGXOT-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 = 50374475   

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))	BDBM50374475 (CHEMBL403965) Show SMILES Cc1ccn(CC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)n1 |w:24.26| Show InChI InChI=1S/C25H27N7O/c1-19-8-6-7-11-22(19)28-25(27-18-26)30-14-15-32(23(16-30)21-9-4-3-5-10-21)24(33)17-31-13-12-20(2)29-31/h3-13,23H,14-17H2,1-2H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	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))	BDBM50374475 (CHEMBL403965) Show SMILES Cc1ccn(CC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)n1 |w:24.26| Show InChI InChI=1S/C25H27N7O/c1-19-8-6-7-11-22(19)28-25(27-18-26)30-14-15-32(23(16-30)21-9-4-3-5-10-21)24(33)17-31-13-12-20(2)29-31/h3-13,23H,14-17H2,1-2H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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