BDBM50374472 CHEMBL255534

SMILES: Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)CC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=JZSWOUQBABEFPZ-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 = 50374472   

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))	BDBM50374472 (CHEMBL255534) Show SMILES Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)CC12CC3CC(CC(C3)C1)C2 |w:7.7,TLB:36:27:34:30.31.32,26:27:34:30.31.32,THB:36:31:28.27.35:34,32:31:28:35.33.34,32:33:28:30.36.31| Show InChI InChI=1S/C31H37N5O/c1-22-7-5-6-10-27(22)34-30(33-21-32)35-11-12-36(28(20-35)26-8-3-2-4-9-26)29(37)19-31-16-23-13-24(17-31)15-25(14-23)18-31/h2-10,23-25,28H,11-20H2,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	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))	BDBM50374472 (CHEMBL255534) Show SMILES Cc1ccccc1N=C(NC#N)N1CCN(C(C1)c1ccccc1)C(=O)CC12CC3CC(CC(C3)C1)C2 |w:7.7,TLB:36:27:34:30.31.32,26:27:34:30.31.32,THB:36:31:28.27.35:34,32:31:28:35.33.34,32:33:28:30.36.31| Show InChI InChI=1S/C31H37N5O/c1-22-7-5-6-10-27(22)34-30(33-21-32)35-11-12-36(28(20-35)26-8-3-2-4-9-26)29(37)19-31-16-23-13-24(17-31)15-25(14-23)18-31/h2-10,23-25,28H,11-20H2,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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