BDBM50191064 CHEMBL3894220

SMILES: Nc1ccc2c(C(=O)NCC(N3CCC(F)(F)CC3)c3cnc(nc3)C(F)(F)F)c(Cl)ccc2n1

InChI Key: InChIKey=HNQIYRSKIZTEAQ-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 = 50191064   

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))	BDBM50191064 (CHEMBL3894220) Show SMILES Nc1ccc2c(C(=O)NCC(N3CCC(F)(F)CC3)c3cnc(nc3)C(F)(F)F)c(Cl)ccc2n1 Show InChI InChI=1S/C22H20ClF5N6O/c23-14-2-3-15-13(1-4-17(29)33-15)18(14)19(35)30-11-16(34-7-5-21(24,25)6-8-34)12-9-31-20(32-10-12)22(26,27)28/h1-4,9-10,16H,5-8,11H2,(H2,29,33)(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor assessed as reduction in calcium flux by FLIPR assay				Bioorg Med Chem Lett 26: 4781-4784 (2016) Article DOI: 10.1016/j.bmcl.2016.08.029 BindingDB Entry DOI: 10.7270/Q2QJ7K7G
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50191064 (CHEMBL3894220) Show SMILES Nc1ccc2c(C(=O)NCC(N3CCC(F)(F)CC3)c3cnc(nc3)C(F)(F)F)c(Cl)ccc2n1 Show InChI InChI=1S/C22H20ClF5N6O/c23-14-2-3-15-13(1-4-17(29)33-15)18(14)19(35)30-11-16(34-7-5-21(24,25)6-8-34)12-9-31-20(32-10-12)22(26,27)28/h1-4,9-10,16H,5-8,11H2,(H2,29,33)(H,30,35)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at mouse P2X7 receptor assessed as reduction in calcium flux by FLIPR calcium flux assay				Bioorg Med Chem Lett 26: 4781-4784 (2016) Article DOI: 10.1016/j.bmcl.2016.08.029 BindingDB Entry DOI: 10.7270/Q2QJ7K7G
					More data for this Ligand-Target Pair