Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM137087'   

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))	BDBM137087 (US8871790, 155) Show SMILES Cc1cc(C2CCC2)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nnc(CO)[nH]1 Show InChI InChI=1S/C27H29N5O2/c1-17-13-23(21-3-2-4-21)24(26-29-25(16-33)30-31-26)14-22(17)27(34)32-11-9-20(10-12-32)19-7-5-18(15-28)6-8-19/h5-8,13-14,20-21,33H,2-4,9-12,16H2,1H3,(H,29,30,31)	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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