BDBM50110173 CHEMBL3604428

SMILES: C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ncc(F)cn1

InChI Key: InChIKey=YPTLIGPRZNCUDE-VIFPVBQESA-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 = 50110173   

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))	BDBM50110173 (CHEMBL3604428) Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H13Cl2FN6O/c1-9-7-26-13(23-24-16(26)15-21-5-10(20)6-22-15)8-25(9)17(27)11-3-2-4-12(18)14(11)19/h2-6,9H,7-8H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	118	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))	BDBM50110173 (CHEMBL3604428) Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H13Cl2FN6O/c1-9-7-26-13(23-24-16(26)15-21-5-10(20)6-22-15)8-25(9)17(27)11-3-2-4-12(18)14(11)19/h2-6,9H,7-8H2,1H3/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	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