BDBM50374461 CHEMBL404528

SMILES: Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)Cc1ccccc1

InChI Key: InChIKey=CSBGHDWYVFPBNH-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 = 50374461   

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))	BDBM50374461 (CHEMBL404528) Show SMILES Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)Cc1ccccc1 |w:7.7| Show InChI InChI=1S/C27H27N5O/c1-21-10-8-9-15-24(21)30-27(29-20-28)31-16-17-32(25(19-31)23-13-6-3-7-14-23)26(33)18-22-11-4-2-5-12-22/h2-15,25H,16-19H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	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))	BDBM50374461 (CHEMBL404528) Show SMILES Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)Cc1ccccc1 |w:7.7| Show InChI InChI=1S/C27H27N5O/c1-21-10-8-9-15-24(21)30-27(29-20-28)31-16-17-32(25(19-31)23-13-6-3-7-14-23)26(33)18-22-11-4-2-5-12-22/h2-15,25H,16-19H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	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