Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM137405'   

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))	BDBM137405 (US8871790, 492) Show SMILES O=C(NC[C@H]1CCCO1)Nc1cc(ccc1C1CCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C29H34N4O3/c30-18-20-6-8-21(9-7-20)22-12-14-33(15-13-22)28(34)24-10-11-26(23-3-1-4-23)27(17-24)32-29(35)31-19-25-5-2-16-36-25/h6-11,17,22-23,25H,1-5,12-16,19H2,(H2,31,32,35)/t25-/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	30	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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