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BDBM244747 US10226449, cpd 357::US9428502, 357

SMILES: COCc1c(C)n[nH]c1-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C

InChI Key: InChIKey=YIIRTTVTQSUELO-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 = 244747   
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))
BDBM244747
PNG
(US10226449, cpd 357 | US9428502, 357)
Show SMILES COCc1c(C)n[nH]c1-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C25H26N4O2/c1-15-9-16(2)22(10-21(15)24-23(14-31-4)17(3)27-28-24)25(30)29-12-20(13-29)19-7-5-18(11-26)6-8-19/h5-10,20H,12-14H2,1-4H3,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 87n/an/an/an/an/an/a



3-V Biosciences, Inc.

US Patent


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...


US Patent US10226449 (2019)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM244747
PNG
(US10226449, cpd 357 | US9428502, 357)
Show SMILES COCc1c(C)n[nH]c1-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C25H26N4O2/c1-15-9-16(2)22(10-21(15)24-23(14-31-4)17(3)27-28-24)25(30)29-12-20(13-29)19-7-5-18(11-26)6-8-19/h5-10,20H,12-14H2,1-4H3,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 87n/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