BDBM50306014 CHEMBL594536::N-(2-(1-(4-chloro-2-(2-fluorophenylsulfonyl)phenylsulfonyl)azetidin-3-yl)ethyl)-1,1,1-trifluoromethanesulfonamide

SMILES: Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC(CCNS(=O)(=O)C(F)(F)F)C1

InChI Key: InChIKey=YGILMJYQKXFDDM-UHFFFAOYSA-N

Data: 2 KI

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 = 50306014   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50306014 (CHEMBL594536 | N-(2-(1-(4-chloro-2-(2-fluorophenyl...) Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC(CCNS(=O)(=O)C(F)(F)F)C1 Show InChI InChI=1S/C18H17ClF4N2O6S3/c19-13-5-6-16(17(9-13)32(26,27)15-4-2-1-3-14(15)20)33(28,29)25-10-12(11-25)7-8-24-34(30,31)18(21,22)23/h1-6,9,12,24H,7-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 20: 608-11 (2010) Article DOI: 10.1016/j.bmcl.2009.11.084 BindingDB Entry DOI: 10.7270/Q2SB45V0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50306014 (CHEMBL594536 | N-(2-(1-(4-chloro-2-(2-fluorophenyl...) Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC(CCNS(=O)(=O)C(F)(F)F)C1 Show InChI InChI=1S/C18H17ClF4N2O6S3/c19-13-5-6-16(17(9-13)32(26,27)15-4-2-1-3-14(15)20)33(28,29)25-10-12(11-25)7-8-24-34(30,31)18(21,22)23/h1-6,9,12,24H,7-8,10-11H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 20: 608-11 (2010) Article DOI: 10.1016/j.bmcl.2009.11.084 BindingDB Entry DOI: 10.7270/Q2SB45V0
					More data for this Ligand-Target Pair