Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM137258'   

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))	BDBM137258 (US8871790, 338) Show SMILES CCc1cc(C)c(cc1NC(=O)NC[C@H]1CCCO1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C28H33FN4O3/c1-3-21-15-19(2)24(16-25(21)32-27(35)31-18-23-5-4-14-36-23)26(34)33-12-10-28(29,11-13-33)22-8-6-20(17-30)7-9-22/h6-9,15-16,23H,3-5,10-14,18H2,1-2H3,(H2,31,32,35)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	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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