BDBM50370306 CHEMBL4160756

SMILES: Clc1ccc2c(NC(=O)CC3CCCCC3)cccc2n1

InChI Key: InChIKey=UNRRRVKDFFXKOI-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 = 50370306   

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))	BDBM50370306 (CHEMBL4160756) Show SMILES Clc1ccc2c(NC(=O)CC3CCCCC3)cccc2n1 Show InChI InChI=1S/C17H19ClN2O/c18-16-10-9-13-14(19-16)7-4-8-15(13)20-17(21)11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	335	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370306 (CHEMBL4160756) Show SMILES Clc1ccc2c(NC(=O)CC3CCCCC3)cccc2n1 Show InChI InChI=1S/C17H19ClN2O/c18-16-10-9-13-14(19-16)7-4-8-15(13)20-17(21)11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	385	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair