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BDBM137322 US8871790, 408

SMILES: CN1CCc2nc([nH]c2C1)-c1cc(ccc1C)C(=O)N1CCC(CC1)c1ccc(cc1)C#N

InChI Key: InChIKey=YHHILKGSJUXDPL-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 137322   
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))
BDBM137322
PNG
(US8871790, 408)
Show SMILES CN1CCc2nc([nH]c2C1)-c1cc(ccc1C)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H29N5O/c1-18-3-6-22(15-23(18)26-29-24-11-12-31(2)17-25(24)30-26)27(33)32-13-9-21(10-14-32)20-7-4-19(16-28)5-8-20/h3-8,15,21H,9-14,17H2,1-2H3,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 145n/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