Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM136993'   

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))	BDBM136993 (US8871790, 58) Show SMILES CCc1cc(C)c(cc1NC(=O)c1ccc(nc1)N1CCOCC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C32H34FN5O3/c1-3-24-18-22(2)27(31(40)38-12-10-32(33,11-13-38)26-7-4-23(20-34)5-8-26)19-28(24)36-30(39)25-6-9-29(35-21-25)37-14-16-41-17-15-37/h4-9,18-19,21H,3,10-17H2,1-2H3,(H,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
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 US8871790 (2014) BindingDB Entry DOI: 10.7270/Q2PG1QD3
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