BDBM50124413 CHEMBL3623460

SMILES: O=C1COC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2cccc3cnccc23)CN1C1CC1

InChI Key: InChIKey=VOYGDAVSUIUHRA-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 = 50124413   

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
Fatty acid synthase (Homo sapiens (Human))	BDBM50124413 (CHEMBL3623460) Show SMILES O=C1COC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2cccc3cnccc23)CN1C1CC1 Show InChI InChI=1S/C26H27N3O4S/c30-25-17-33-26(18-29(25)21-6-7-21)11-14-28(15-12-26)34(31,32)22-8-4-19(5-9-22)23-3-1-2-20-16-27-13-10-24(20)23/h1-5,8-10,13,16,21H,6-7,11-12,14-15,17-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Inhibition of fatty acid synthase (unknown origin)				Bioorg Med Chem Lett 25: 4363-9 (2015) BindingDB Entry DOI: 10.7270/Q2057HR2
					More data for this Ligand-Target Pair