Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM137039'   

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))	BDBM137039 (US8871790, 105) Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)N1CCCC1 Show InChI InChI=1S/C31H31FN6O/c1-20-15-21(2)25(30(39)38-13-9-31(32,10-14-38)23-7-5-22(18-33)6-8-23)16-24(20)29-35-26-17-28(34-19-27(26)36-29)37-11-3-4-12-37/h5-8,15-17,19H,3-4,9-14H2,1-2H3,(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	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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