Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 456.2 BDBM50364037

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

Found 2 hits 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))	BDBM50364037 (CHEMBL1950547) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C16H15BrFN5O5/c17-11-4-3-10(18)7-12(11)26-5-1-2-6-27-14-8-13(28-21-14)16-19-22-23(20-16)9-15(24)25/h3-4,7-8H,1-2,5-6,9H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	248	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 liver microsome SCD1				Bioorg Med Chem Lett 22: 623-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.070 BindingDB Entry DOI: 10.7270/Q26M379R
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50364037 (CHEMBL1950547) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C16H15BrFN5O5/c17-11-4-3-10(18)7-12(11)26-5-1-2-6-27-14-8-13(28-21-14)16-19-22-23(20-16)9-15(24)25/h3-4,7-8H,1-2,5-6,9H2,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	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 SCD1 in OATP-deficient human HepG2 cells by whole cell assay				Bioorg Med Chem Lett 22: 623-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.070 BindingDB Entry DOI: 10.7270/Q26M379R
					More data for this Ligand-Target Pair