BDBM50296158 CHEMBL555873::methyl 4-(4-(9H-fluoren-9-yl)piperazin-1-ylsulfonyl)-2,5-dimethylfuran-3-carboxylate

SMILES: COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12

InChI Key: InChIKey=GZTSQHSXUJTAHK-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50296158   

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))	BDBM50296158 (CHEMBL555873 | methyl 4-(4-(9H-fluoren-9-yl)pipera...) Show SMILES COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C25H26N2O5S/c1-16-22(25(28)31-3)24(17(2)32-16)33(29,30)27-14-12-26(13-15-27)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-11,23H,12-15H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.61E+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