BDBM50374459 CHEMBL255788

SMILES: Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)Cc1ccc2ccccc2c1

InChI Key: InChIKey=RPWQHZJXBNJQBH-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 = 50374459   

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))	BDBM50374459 (CHEMBL255788) Show SMILES Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)Cc1ccc2ccccc2c1 |w:7.7| Show InChI InChI=1S/C31H29N5O/c1-23-9-5-8-14-28(23)34-31(33-22-32)35-17-18-36(29(21-35)26-11-3-2-4-12-26)30(37)20-24-15-16-25-10-6-7-13-27(25)19-24/h2-16,19,29H,17-18,20-21H2,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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))	BDBM50374459 (CHEMBL255788) Show SMILES Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)Cc1ccc2ccccc2c1 |w:7.7| Show InChI InChI=1S/C31H29N5O/c1-23-9-5-8-14-28(23)34-31(33-22-32)35-17-18-36(29(21-35)26-11-3-2-4-12-26)30(37)20-24-15-16-25-10-6-7-13-27(25)19-24/h2-16,19,29H,17-18,20-21H2,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	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