BDBM50296170 CHEMBL549501::methyl N-4-(5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenylsulfonylpyrrolidine-1-carbimidothioate

SMILES: CS\C(=N/S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccs1)C(F)(F)F)N1CCCC1

InChI Key: InChIKey=XNOVHHIDYPOWLH-PLRJNAJWSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50296170   

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 1 (Homo sapiens (Human))	BDBM50296170 (CHEMBL549501 | methyl N-4-(5-(thiophen-2-yl)-3-(tr...) Show SMILES CS\C(=N/S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccs1)C(F)(F)F)N1CCCC1 Show InChI InChI=1S/C20H19F3N4O2S3/c1-30-19(26-10-2-3-11-26)25-32(28,29)15-8-6-14(7-9-15)27-16(17-5-4-12-31-17)13-18(24-27)20(21,22)23/h4-9,12-13H,2-3,10-11H2,1H3/b25-19-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 4183-90 (2009) Article DOI: 10.1016/j.bmcl.2009.05.114 BindingDB Entry DOI: 10.7270/Q2XP75VT
					More data for this Ligand-Target Pair