BDBM50305995 CHEMBL593596::N-((1-(4-chloro-2-(2-fluorophenylsulfonyl)phenylsulfonyl)-4-fluoropiperidin-4-yl)methyl)-1,1,1-trifluoromethanesulfonamide

SMILES: Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(F)(CNS(=O)(=O)C(F)(F)F)CC1

InChI Key: InChIKey=BJSKDMOWRPAVMK-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50305995   

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))	BDBM50305995 (CHEMBL593596 | N-((1-(4-chloro-2-(2-fluorophenylsu...) Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(F)(CNS(=O)(=O)C(F)(F)F)CC1 Show InChI InChI=1S/C19H18ClF5N2O6S3/c20-13-5-6-16(17(11-13)34(28,29)15-4-2-1-3-14(15)21)35(30,31)27-9-7-18(22,8-10-27)12-26-36(32,33)19(23,24)25/h1-6,11,26H,7-10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50305995 (CHEMBL593596 | N-((1-(4-chloro-2-(2-fluorophenylsu...) Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(F)(CNS(=O)(=O)C(F)(F)F)CC1 Show InChI InChI=1S/C19H18ClF5N2O6S3/c20-13-5-6-16(17(11-13)34(28,29)15-4-2-1-3-14(15)21)35(30,31)27-9-7-18(22,8-10-27)12-26-36(32,33)19(23,24)25/h1-6,11,26H,7-10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9				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