Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50306127'   

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 (Mus musculus)	BDBM50306127 (6-(5,8-difluorospiro[chroman-2,4'-piperidine]-1'-y...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCc1c(F)ccc(F)c1O2)c1cccnc1 Show InChI InChI=1S/C25H25F2N5O3/c26-18-3-4-19(27)23-17(18)7-8-25(35-23)9-12-32(13-10-25)22-6-5-20(30-31-22)24(34)29-15-21(33)16-2-1-11-28-14-16/h1-6,11,14,21,33H,7-10,12-13,15H2,(H,29,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 20: 746-54 (2010) Article DOI: 10.1016/j.bmcl.2009.11.043 BindingDB Entry DOI: 10.7270/Q28C9WBJ
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