BDBM50386567 CHEMBL2048437

SMILES: Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)C(Br)C1C3

InChI Key: InChIKey=USQJUACRNKXLOS-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 = 50386567   

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))	BDBM50386567 (CHEMBL2048437) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)C(Br)C1C3 |TLB:22:21:16.15.14:18,20:19:16:14.13.18,20:19:16.15.14:18,THB:10:12:16.15.14:18,22:15:18:19.21.12,20:19:16.15.22:13.18.12,12:21:16:14.13.18,12:13:16:19.22.21| Show InChI InChI=1S/C16H18BrCl2N3O/c17-14-9-2-7-1-8(4-9)13(10(14)3-7)16(23)22-21-15-11(18)5-20-6-12(15)19/h5-10,13-14H,1-4H2,(H,20,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386567 (CHEMBL2048437) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)C(Br)C1C3 |TLB:22:21:16.15.14:18,20:19:16:14.13.18,20:19:16.15.14:18,THB:10:12:16.15.14:18,22:15:18:19.21.12,20:19:16.15.22:13.18.12,12:21:16:14.13.18,12:13:16:19.22.21| Show InChI InChI=1S/C16H18BrCl2N3O/c17-14-9-2-7-1-8(4-9)13(10(14)3-7)16(23)22-21-15-11(18)5-20-6-12(15)19/h5-10,13-14H,1-4H2,(H,20,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair