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BDBM137320 US8871790, 406

SMILES: CN1CCc2nc([nH]c2C1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1

InChI Key: InChIKey=FLLQCMLYQSIRHF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 137320   
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


(Homo sapiens (Human))
BDBM137320
PNG
(US8871790, 406)
Show SMILES CN1CCc2nc([nH]c2C1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
Show InChI InChI=1S/C31H35N5O/c1-20-16-26(24-4-3-5-24)27(30-33-28-12-13-35(2)19-29(28)34-30)17-25(20)31(37)36-14-10-23(11-15-36)22-8-6-21(18-32)7-9-22/h6-9,16-17,23-24H,3-5,10-15,19H2,1-2H3,(H,33,34)
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20n/an/an/an/an/an/a



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US8871790 (2014)


BindingDB Entry DOI: 10.7270/Q2PG1QD3
More data for this
Ligand-Target Pair