BindingDB logo
myBDB logout

BDBM244760 US10226449, cpd 370::US9428502, 370

SMILES: Cc1nc(c([nH]1)-c1cc(C(=O)N2CC(F)(C2)c2ccc(cc2)C#N)c(C)cc1C)C(F)(F)F

InChI Key: InChIKey=LPYNBQIJCZAZMH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 244760   
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))
BDBM244760
PNG
(US10226449, cpd 370 | US9428502, 370)
Show SMILES Cc1nc(c([nH]1)-c1cc(C(=O)N2CC(F)(C2)c2ccc(cc2)C#N)c(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C24H20F4N4O/c1-13-8-14(2)19(9-18(13)20-21(24(26,27)28)31-15(3)30-20)22(33)32-11-23(25,12-32)17-6-4-16(10-29)5-7-17/h4-9H,11-12H2,1-3H3,(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...


J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM244760
PNG
(US10226449, cpd 370 | US9428502, 370)
Show SMILES Cc1nc(c([nH]1)-c1cc(C(=O)N2CC(F)(C2)c2ccc(cc2)C#N)c(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C24H20F4N4O/c1-13-8-14(2)19(9-18(13)20-21(24(26,27)28)31-15(3)30-20)22(33)32-11-23(25,12-32)17-6-4-16(10-29)5-7-17/h4-9H,11-12H2,1-3H3,(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/a4



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 US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair