BDBM50305989 CHEMBL596387::N-((1-(4-chloro-2-(2-fluorophenylsulfonyl)phenylsulfonyl)-4-methylpiperidin-4-yl)methyl)-1,1,1-trifluoromethanesulfonamide

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

InChI Key: InChIKey=XVGBNAVZMALDKB-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50305989   

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))	BDBM50305989 (CHEMBL596387 | N-((1-(4-chloro-2-(2-fluorophenylsu...) Show SMILES CC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C20H21ClF4N2O6S3/c1-19(13-26-36(32,33)20(23,24)25)8-10-27(11-9-19)35(30,31)17-7-6-14(21)12-18(17)34(28,29)16-5-3-2-4-15(16)22/h2-7,12,26H,8-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	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))	BDBM50305989 (CHEMBL596387 | N-((1-(4-chloro-2-(2-fluorophenylsu...) Show SMILES CC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C20H21ClF4N2O6S3/c1-19(13-26-36(32,33)20(23,24)25)8-10-27(11-9-19)35(30,31)17-7-6-14(21)12-18(17)34(28,29)16-5-3-2-4-15(16)22/h2-7,12,26H,8-11,13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50305989 (CHEMBL596387 | N-((1-(4-chloro-2-(2-fluorophenylsu...) Show SMILES CC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C20H21ClF4N2O6S3/c1-19(13-26-36(32,33)20(23,24)25)8-10-27(11-9-19)35(30,31)17-7-6-14(21)12-18(17)34(28,29)16-5-3-2-4-15(16)22/h2-7,12,26H,8-11,13H2,1H3	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