BDBM50352054 CHEMBL1824023

SMILES: OC1(CNC(=O)c2cc(ccc2Cl)-c2ccc(=O)[nH]n2)CCCCCC1

InChI Key: InChIKey=VWEPNTVYMUTNBW-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 = 50352054   

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 (Homo sapiens (Human))	BDBM50352054 (CHEMBL1824023) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ccc(=O)[nH]n2)CCCCCC1 Show InChI InChI=1S/C19H22ClN3O3/c20-15-6-5-13(16-7-8-17(24)23-22-16)11-14(15)18(25)21-12-19(26)9-3-1-2-4-10-19/h5-8,11,26H,1-4,9-10,12H2,(H,21,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...				Bioorg Med Chem Lett 21: 5475-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.117 BindingDB Entry DOI: 10.7270/Q2PC32RF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50352054 (CHEMBL1824023) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ccc(=O)[nH]n2)CCCCCC1 Show InChI InChI=1S/C19H22ClN3O3/c20-15-6-5-13(16-7-8-17(24)23-22-16)11-14(15)18(25)21-12-19(26)9-3-1-2-4-10-19/h5-8,11,26H,1-4,9-10,12H2,(H,21,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake				Bioorg Med Chem Lett 21: 5475-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.117 BindingDB Entry DOI: 10.7270/Q2PC32RF
					More data for this Ligand-Target Pair