BDBM50110160 CHEMBL3604323

SMILES: CC1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cc1

InChI Key: InChIKey=LEKYBEUSNCUHQO-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 = 50110160   

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 (P2X7) (Rattus norvegicus (Rat))	BDBM50110160 (CHEMBL3604323) Show SMILES CC1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cc1 Show InChI InChI=1S/C19H15Cl2FN4O/c1-11-9-26-16(23-24-18(26)12-5-7-13(22)8-6-12)10-25(11)19(27)14-3-2-4-15(20)17(14)21/h2-8,11H,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.23E+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 rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay				Bioorg Med Chem Lett 25: 3157-63 (2015) BindingDB Entry DOI: 10.7270/Q2BV7JD0
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50110160 (CHEMBL3604323) Show SMILES CC1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cc1 Show InChI InChI=1S/C19H15Cl2FN4O/c1-11-9-26-16(23-24-18(26)12-5-7-13(22)8-6-12)10-25(11)19(27)14-3-2-4-15(20)17(14)21/h2-8,11H,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	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 recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...				Bioorg Med Chem Lett 25: 3157-63 (2015) BindingDB Entry DOI: 10.7270/Q2BV7JD0
					More data for this Ligand-Target Pair