BDBM50305992 CHEMBL605932::N-((1-(4-chloro-2-(2-fluorophenylsulfonyl)phenylsulfonyl)-4-isopropylpiperidin-4-yl)methyl)-1,1,1-trifluoromethanesulfonamide

SMILES: CC(C)C1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F

InChI Key: InChIKey=AZNRMDXFHFVMEA-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 = 50305992   

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))	BDBM50305992 (CHEMBL605932 | N-((1-(4-chloro-2-(2-fluorophenylsu...) Show SMILES CC(C)C1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C22H25ClF4N2O6S3/c1-15(2)21(14-28-38(34,35)22(25,26)27)9-11-29(12-10-21)37(32,33)19-8-7-16(23)13-20(19)36(30,31)18-6-4-3-5-17(18)24/h3-8,13,15,28H,9-12,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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))	BDBM50305992 (CHEMBL605932 | N-((1-(4-chloro-2-(2-fluorophenylsu...) Show SMILES CC(C)C1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C22H25ClF4N2O6S3/c1-15(2)21(14-28-38(34,35)22(25,26)27)9-11-29(12-10-21)37(32,33)19-8-7-16(23)13-20(19)36(30,31)18-6-4-3-5-17(18)24/h3-8,13,15,28H,9-12,14H2,1-2H3	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	2.00E+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