Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM50242231'   

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))	BDBM50242231 (CHEMBL4098160) Show SMILES CCCCCC[C@]1(C)[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29-,35+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
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