BDBM50374462 CHEMBL272934

SMILES: COc1ccc(CC(=O)N2CCN(C(C2)c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC

InChI Key: InChIKey=HMQNKBNMTRXWDF-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 = 50374462   

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))	BDBM50374462 (CHEMBL272934) Show SMILES COc1ccc(CC(=O)N2CCN(C(C2)c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:25.27| Show InChI InChI=1S/C29H31N5O3/c1-21-9-7-8-12-24(21)32-29(31-20-30)34-16-15-33(19-25(34)23-10-5-4-6-11-23)28(35)18-22-13-14-26(36-2)27(17-22)37-3/h4-14,17,25H,15-16,18-19H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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))	BDBM50374462 (CHEMBL272934) Show SMILES COc1ccc(CC(=O)N2CCN(C(C2)c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:25.27| Show InChI InChI=1S/C29H31N5O3/c1-21-9-7-8-12-24(21)32-29(31-20-30)34-16-15-33(19-25(34)23-10-5-4-6-11-23)28(35)18-22-13-14-26(36-2)27(17-22)37-3/h4-14,17,25H,15-16,18-19H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	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