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BDBM183472 US9670142, A53 4'-fluoro-biphenyl-4-carboxylic acid methyl-((1R,3S)-3-propionylamino-cyclopentyl)-amide

SMILES: CCC(=O)N[C@H]1CC[C@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1

InChI Key: InChIKey=XMPFTRSFYPFDSD-VQTJNVASSA-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 = 183472   
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))
BDBM183472
PNG
(US9670142, A53 4'-fluoro-biphenyl-4-carboxylic...)
Show SMILES CCC(=O)N[C@H]1CC[C@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H25FN2O2/c1-3-21(26)24-19-12-13-20(14-19)25(2)22(27)17-6-4-15(5-7-17)16-8-10-18(23)11-9-16/h4-11,19-20H,3,12-14H2,1-2H3,(H,24,26)/t19-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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