Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM137336'   

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))	BDBM137336 (US8871790, 422) Show SMILES COC(=O)N1CCc2nc([nH]c2C1)-c1cc(ccc1C1CC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C30H31N5O3/c1-38-30(37)35-15-12-26-27(18-35)33-28(32-26)25-16-23(8-9-24(25)22-6-7-22)29(36)34-13-10-21(11-14-34)20-4-2-19(17-31)3-5-20/h2-5,8-9,16,21-22H,6-7,10-15,18H2,1H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	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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