BDBM50374470 CHEMBL257273

SMILES: COc1ccc(CCC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC

InChI Key: InChIKey=WIHCHSXCHHKOFT-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 = 50374470   

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))	BDBM50374470 (CHEMBL257273) Show SMILES COc1ccc(CCC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:26.28| Show InChI InChI=1S/C30H33N5O3/c1-22-9-7-8-12-25(22)33-30(32-21-31)34-17-18-35(26(20-34)24-10-5-4-6-11-24)29(36)16-14-23-13-15-27(37-2)28(19-23)38-3/h4-13,15,19,26H,14,16-18,20H2,1-3H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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))	BDBM50374470 (CHEMBL257273) Show SMILES COc1ccc(CCC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC |w:26.28| Show InChI InChI=1S/C30H33N5O3/c1-22-9-7-8-12-25(22)33-30(32-21-31)34-17-18-35(26(20-34)24-10-5-4-6-11-24)29(36)16-14-23-13-15-27(37-2)28(19-23)38-3/h4-13,15,19,26H,14,16-18,20H2,1-3H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	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