BDBM50374464 CHEMBL255742

SMILES: COc1ccc(CC(=O)N2CCN([C@H](CC(C)C)C2)C(NC#N)=Nc2ccccc2C)cc1OC

InChI Key: InChIKey=PQHVVWQJRVCDPO-JOCHJYFZSA-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 = 50374464   

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))	BDBM50374464 (CHEMBL255742) Show SMILES COc1ccc(CC(=O)N2CCN([C@H](CC(C)C)C2)C(NC#N)=Nc2ccccc2C)cc1OC |w:23.24| Show InChI InChI=1S/C27H35N5O3/c1-19(2)14-22-17-31(26(33)16-21-10-11-24(34-4)25(15-21)35-5)12-13-32(22)27(29-18-28)30-23-9-7-6-8-20(23)3/h6-11,15,19,22H,12-14,16-17H2,1-5H3,(H,29,30)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at 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))	BDBM50374464 (CHEMBL255742) Show SMILES COc1ccc(CC(=O)N2CCN([C@H](CC(C)C)C2)C(NC#N)=Nc2ccccc2C)cc1OC |w:23.24| Show InChI InChI=1S/C27H35N5O3/c1-19(2)14-22-17-31(26(33)16-21-10-11-24(34-4)25(15-21)35-5)12-13-32(22)27(29-18-28)30-23-9-7-6-8-20(23)3/h6-11,15,19,22H,12-14,16-17H2,1-5H3,(H,29,30)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	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