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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid synthase (FAS)' and Ligand = 'BDBM186796'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM186796
PNG
(US9670142, A173 2-(1H-indol-5-yl)-4-methyl-thiazol...)
Show SMILES CCC(=O)N[C@H]1CC[C@H](C1)N(C)C(=O)c1sc(nc1C)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H26N4O2S/c1-4-19(27)25-16-6-7-17(12-16)26(3)22(28)20-13(2)24-21(29-20)15-5-8-18-14(11-15)9-10-23-18/h5,8-11,16-17,23H,4,6-7,12H2,1-3H3,(H,25,27)/t16-,17+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<300n/an/an/an/a7.025



Merck Patent GmbH

US Patent


Assay Description
The biochemical FASN activity testing was performed as 384 well two-time-point kinetic fluorescence intensity assay format in Greiner low volume medi...


US Patent US9670142 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8C21
More data for this
Ligand-Target Pair