BDBM50110113 CHEMBL3604328

SMILES: CC1N(CCn2c1nnc2-c1cnccn1)C(=O)c1cccc(c1Cl)C(F)(F)F

InChI Key: InChIKey=ZAJVOXZSUBHRRY-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 = 50110113   

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 (Rattus norvegicus (Rat))	BDBM50110113 (CHEMBL3604328) Show SMILES CC1N(CCn2c1nnc2-c1cnccn1)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C18H14ClF3N6O/c1-10-15-25-26-16(13-9-23-5-6-24-13)28(15)8-7-27(10)17(29)11-3-2-4-12(14(11)19)18(20,21)22/h2-6,9-10H,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	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))	BDBM50110113 (CHEMBL3604328) Show SMILES CC1N(CCn2c1nnc2-c1cnccn1)C(=O)c1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C18H14ClF3N6O/c1-10-15-25-26-16(13-9-23-5-6-24-13)28(15)8-7-27(10)17(29)11-3-2-4-12(14(11)19)18(20,21)22/h2-6,9-10H,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	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