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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 = 'BDBM182960'   
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))
BDBM182960
PNG
(US9670142, A22 N-{(1S,3R)-3-[(4-benzoxazol-2-yl-be...)
Show SMILES CN([C@@H]1CC[C@@H](C1)NC(=O)c1ccncc1)C(=O)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C26H24N4O3/c1-30(21-11-10-20(16-21)28-24(31)17-12-14-27-15-13-17)26(32)19-8-6-18(7-9-19)25-29-22-4-2-3-5-23(22)33-25/h2-9,12-15,20-21H,10-11,16H2,1H3,(H,28,31)/t20-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.75E+3n/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