BDBM50510523 CHEMBL4440833

SMILES: F[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1

InChI Key: InChIKey=PYQGFKNDEHIFLC-CQSZACIVSA-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 = 50510523   

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))	BDBM50510523 (CHEMBL4440833) Show SMILES F[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C21H23ClF3N3O/c22-16-2-3-17-15(1-4-18(27-17)28-10-7-14(23)12-28)19(16)20(29)26-11-13-5-8-21(24,25)9-6-13/h1-4,13-14H,5-12H2,(H,26,29)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50510523 (CHEMBL4440833) Show SMILES F[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r| Show InChI InChI=1S/C21H23ClF3N3O/c22-16-2-3-17-15(1-4-18(27-17)28-10-7-14(23)12-28)19(16)20(29)26-11-13-5-8-21(24,25)9-6-13/h1-4,13-14H,5-12H2,(H,26,29)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research and Development Institute Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...				Bioorg Med Chem Lett 29: 1660-1664 (2019) Article DOI: 10.1016/j.bmcl.2019.04.033
					More data for this Ligand-Target Pair