BDBM50267944 CHEMBL4084609

SMILES: OCc1noc(n1)-c1ccc(nn1)N1CCC(CC1)(c1ccccc1)C(F)(F)F

InChI Key: InChIKey=JWEGRDDRLYSKDL-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50267944   

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
Stearoyl-CoA desaturase 1 (Homo sapiens (Human))	BDBM50267944 (CHEMBL4084609) Show SMILES OCc1noc(n1)-c1ccc(nn1)N1CCC(CC1)(c1ccccc1)C(F)(F)F Show InChI InChI=1S/C19H18F3N5O2/c20-19(21,22)18(13-4-2-1-3-5-13)8-10-27(11-9-18)16-7-6-14(24-25-16)17-23-15(12-28)26-29-17/h1-7,28H,8-12H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair