Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 392.4 BDBM50330000

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50330000 (6-(cyclopropylsulfonyl)-2-(2'-fluorobiphenyl-4-yl)...) Show SMILES Fc1ccccc1-c1ccc(cc1)-c1nc2ccc(cc2[nH]1)S(=O)(=O)C1CC1 Show InChI InChI=1S/C22H17FN2O2S/c23-19-4-2-1-3-18(19)14-5-7-15(8-6-14)22-24-20-12-11-17(13-21(20)25-22)28(26,27)16-9-10-16/h1-8,11-13,16H,9-10H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	401	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat SCD1				Bioorg Med Chem Lett 20: 6366-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.094 BindingDB Entry DOI: 10.7270/Q20V8D1P
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