Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM244581'   

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
Fatty acid synthase (Homo sapiens (Human))	BDBM244581 (US10226449, cpd 190 | US9428502, 190) Show SMILES COC(=O)N1CC(C1)c1nc(C)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C27H27N5O3/c1-16-4-7-20(26(33)31-12-21(13-31)19-8-5-18(11-28)6-9-19)10-23(16)24-17(2)29-25(30-24)22-14-32(15-22)27(34)35-3/h4-10,21-22H,12-15H2,1-3H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244581 (US10226449, cpd 190 | US9428502, 190) Show SMILES COC(=O)N1CC(C1)c1nc(C)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C27H27N5O3/c1-16-4-7-20(26(33)31-12-21(13-31)19-8-5-18(11-28)6-9-19)10-23(16)24-17(2)29-25(30-24)22-14-32(15-22)27(34)35-3/h4-10,21-22H,12-15H2,1-3H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair