BDBM50110169 CHEMBL2218113

SMILES: Clc1cccc(C(=O)N2CCn3c(C2)nnc3-c2cnccn2)c1Cl

InChI Key: InChIKey=AXQZZNUTSSFRSV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50110169   

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))	BDBM50110169 (CHEMBL2218113) Show SMILES Clc1cccc(C(=O)N2CCn3c(C2)nnc3-c2cnccn2)c1Cl Show InChI InChI=1S/C16H12Cl2N6O/c17-11-3-1-2-10(14(11)18)16(25)23-6-7-24-13(9-23)21-22-15(24)12-8-19-4-5-20-12/h1-5,8H,6-7,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	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
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50110169 (CHEMBL2218113) Show SMILES Clc1cccc(C(=O)N2CCn3c(C2)nnc3-c2cnccn2)c1Cl Show InChI InChI=1S/C16H12Cl2N6O/c17-11-3-1-2-10(14(11)18)16(25)23-6-7-24-13(9-23)21-22-15(24)12-8-19-4-5-20-12/h1-5,8H,6-7,9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.32E+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))	BDBM50110169 (CHEMBL2218113) Show SMILES Clc1cccc(C(=O)N2CCn3c(C2)nnc3-c2cnccn2)c1Cl Show InChI InChI=1S/C16H12Cl2N6O/c17-11-3-1-2-10(14(11)18)16(25)23-6-7-24-13(9-23)21-22-15(24)12-8-19-4-5-20-12/h1-5,8H,6-7,9H2	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 against human P2X7 receptor expressed in HEK293 cells by FLIPR based calcium accumulation assay				Bioorg Med Chem Lett 25: 3157-63 (2015) BindingDB Entry DOI: 10.7270/Q2BV7JD0
					More data for this Ligand-Target Pair