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BDBM186804 US9670142, A175 (S)-tetrahydro-furan-2-carboxylic acid {(1S,3R)-3-[(4-benzoxazol-2-yl-2-fluoro-benzoyl)-methyl-amino]-cyclopentyl}-amide

SMILES: CN([C@@H]1CC[C@@H](C1)NC(=O)[C@@H]1CCCO1)C(=O)c1ccc(cc1F)-c1nc2ccccc2o1

InChI Key: InChIKey=BCRDYNBQKHKCAZ-JKSBSHDWSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 186804   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM186804
PNG
(US9670142, A175 (S)-tetrahydro-furan-2-carboxylic ...)
Show SMILES CN([C@@H]1CC[C@@H](C1)NC(=O)[C@@H]1CCCO1)C(=O)c1ccc(cc1F)-c1nc2ccccc2o1
Show InChI InChI=1S/C25H26FN3O4/c1-29(17-10-9-16(14-17)27-23(30)22-7-4-12-32-22)25(31)18-11-8-15(13-19(18)26)24-28-20-5-2-3-6-21(20)33-24/h2-3,5-6,8,11,13,16-17,22H,4,7,9-10,12,14H2,1H3,(H,27,30)/t16-,17+,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



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