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BDBM244602 US10226449, cpd 211::US9428502, 211

SMILES: Cc1ccc(cc1-c1[nH]c(nc1C#N)C1CCOCC1)C(=O)N1CC(C1)c1ccc(cc1)C#N

InChI Key: InChIKey=URNMDMNSTFPKSL-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 244602   
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))
BDBM244602
PNG
(US10226449, cpd 211 | US9428502, 211)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1C#N)C1CCOCC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H25N5O2/c1-17-2-5-21(27(33)32-15-22(16-32)19-6-3-18(13-28)4-7-19)12-23(17)25-24(14-29)30-26(31-25)20-8-10-34-11-9-20/h2-7,12,20,22H,8-11,15-16H2,1H3,(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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
NS3 serine protease (NS3)


(Hepatitis C Virus (Virus))
BDBM244602
PNG
(US10226449, cpd 211 | US9428502, 211)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1C#N)C1CCOCC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H25N5O2/c1-17-2-5-21(27(33)32-15-22(16-32)19-6-3-18(13-28)4-7-19)12-23(17)25-24(14-29)30-26(31-25)20-8-10-34-11-9-20/h2-7,12,20,22H,8-11,15-16H2,1H3,(H,30,31)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6n/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
The antiviral activities of the compounds were assessed using the HCV1b replicon system. The replicon was constructed using the ET (luc-ubi-neo/ET) c...


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))
BDBM244602
PNG
(US10226449, cpd 211 | US9428502, 211)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1C#N)C1CCOCC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H25N5O2/c1-17-2-5-21(27(33)32-15-22(16-32)19-6-3-18(13-28)4-7-19)12-23(17)25-24(14-29)30-26(31-25)20-8-10-34-11-9-20/h2-7,12,20,22H,8-11,15-16H2,1H3,(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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