BDBM50277587 CHEMBL4166558

SMILES: CCCCOCc1cn(nn1)-c1cc(Cl)ccc1Cl

InChI Key: InChIKey=GTJJXFWARULNTO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50277587   

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 (Mus musculus)	BDBM50277587 (CHEMBL4166558) Show SMILES CCCCOCc1cn(nn1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H15Cl2N3O/c1-2-3-6-19-9-11-8-18(17-16-11)13-7-10(14)4-5-12(13)15/h4-5,7-8H,2-3,6,9H2,1H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	317	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277587 (CHEMBL4166558) Show SMILES CCCCOCc1cn(nn1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H15Cl2N3O/c1-2-3-6-19-9-11-8-18(17-16-11)13-7-10(14)4-5-12(13)15/h4-5,7-8H,2-3,6,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	621	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277587 (CHEMBL4166558) Show SMILES CCCCOCc1cn(nn1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H15Cl2N3O/c1-2-3-6-19-9-11-8-18(17-16-11)13-7-10(14)4-5-12(13)15/h4-5,7-8H,2-3,6,9H2,1H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair