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BDBM269327 2-(2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl)-4,4-dimethyl-1-((1-(1-methylcyclopropanecarbonyl)azetidin-3-yl)methyl)-1H-imidazol-5(4H)-one ::US9718813, Compound 72

SMILES: CC1(CC1)C(=O)N1CC(CN2C(=O)C(C)(C)N=C2c2ccc(cc2F)-c2ccc3cc(F)ccc3c2)C1

InChI Key: InChIKey=UDVYJDDXFMTKLM-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 = 269327   
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
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269327
PNG
(2-(2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl)-4,4...)
Show SMILES CC1(CC1)C(=O)N1CC(CN2C(=O)C(C)(C)N=C2c2ccc(cc2F)-c2ccc3cc(F)ccc3c2)C1
Show InChI InChI=1S/C30H29F2N3O2/c1-29(2)27(36)35(17-18-15-34(16-18)28(37)30(3)10-11-30)26(33-29)24-9-7-22(14-25(24)32)19-4-5-21-13-23(31)8-6-20(21)12-19/h4-9,12-14,18H,10-11,15-17H2,1-3H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 58.9n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM269327
PNG
(2-(2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl)-4,4...)
Show SMILES CC1(CC1)C(=O)N1CC(CN2C(=O)C(C)(C)N=C2c2ccc(cc2F)-c2ccc3cc(F)ccc3c2)C1
Show InChI InChI=1S/C30H29F2N3O2/c1-29(2)27(36)35(17-18-15-34(16-18)28(37)30(3)10-11-30)26(33-29)24-9-7-22(14-25(24)32)19-4-5-21-13-23(31)8-6-20(21)12-19/h4-9,12-14,18H,10-11,15-17H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 35.5n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
In this assay, inhibition of FASN activity is measured using 3H-acetyl-CoA and malonyl-CoA as substrates. 3H-Acetyl CoA is converted to 3H-palmitate ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair