Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM137312'   

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))	BDBM137312 (US8871790, 398) Show SMILES CCc1cc(C)c(cc1-c1nc2CCN(Cc2[nH]1)C(C)=O)C(=O)N1CCC(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C30H33N5O2/c1-4-22-15-19(2)25(16-26(22)29-32-27-11-14-35(20(3)36)18-28(27)33-29)30(37)34-12-9-24(10-13-34)23-7-5-21(17-31)6-8-23/h5-8,15-16,24H,4,9-14,18H2,1-3H3,(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	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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