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BDBM183475 US9670142, A55 tert-butyl-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(cc1)C(C)(C)C

InChI Key: InChIKey=QPDPMXHSZGPUCI-XZOQPEGZSA-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 = 183475   
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))
BDBM183475
PNG
(US9670142, A55 tert-butyl-biphenyl-4-carboxylic ac...)
Show SMILES CCC(=O)N[C@H]1CC[C@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H34N2O2/c1-6-24(29)27-22-15-16-23(17-22)28(5)25(30)20-9-7-18(8-10-20)19-11-13-21(14-12-19)26(2,3)4/h7-14,22-23H,6,15-17H2,1-5H3,(H,27,29)/t22-,23+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.65E+4n/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