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BDBM186330 US9670142, A169 6-(3-fluoro-1H-indol-5-yl)-N-methyl-N-((1R,3S)-3-propionylamino-cyclopentyl)-nicotinamide

SMILES: CCC(=O)N[C@H]1CC[C@H](C1)N(C)C(=O)c1ccc(nc1)-c1ccc2[nH]cc(F)c2c1

InChI Key: InChIKey=HXAXBDYDISYBAH-DLBZAZTESA-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 = 186330   
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))
BDBM186330
PNG
(US9670142, A169 6-(3-fluoro-1H-indol-5-yl)-N-methy...)
Show SMILES CCC(=O)N[C@H]1CC[C@H](C1)N(C)C(=O)c1ccc(nc1)-c1ccc2[nH]cc(F)c2c1
Show InChI InChI=1S/C23H25FN4O2/c1-3-22(29)27-16-6-7-17(11-16)28(2)23(30)15-5-8-20(25-12-15)14-4-9-21-18(10-14)19(24)13-26-21/h4-5,8-10,12-13,16-17,26H,3,6-7,11H2,1-2H3,(H,27,29)/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