BDBM50305999 CHEMBL595913::N-((1-(4-chloro-2-(2-fluorophenylsulfonyl)phenylsulfonyl)-4-phenylpiperidin-4-yl)methyl)-1,1,1-trifluoromethanesulfonamide

SMILES: Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)(CC1)c1ccccc1

InChI Key: InChIKey=NULAQBSNOXCMDV-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 = 50305999   

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))	BDBM50305999 (CHEMBL595913 | N-((1-(4-chloro-2-(2-fluorophenylsu...) Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C25H23ClF4N2O6S3/c26-19-10-11-22(23(16-19)39(33,34)21-9-5-4-8-20(21)27)40(35,36)32-14-12-24(13-15-32,18-6-2-1-3-7-18)17-31-41(37,38)25(28,29)30/h1-11,16,31H,12-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	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))	BDBM50305999 (CHEMBL595913 | N-((1-(4-chloro-2-(2-fluorophenylsu...) Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C25H23ClF4N2O6S3/c26-19-10-11-22(23(16-19)39(33,34)21-9-5-4-8-20(21)27)40(35,36)32-14-12-24(13-15-32,18-6-2-1-3-7-18)17-31-41(37,38)25(28,29)30/h1-11,16,31H,12-15,17H2	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	300	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