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BDBM269334 2-(2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl)-1-((1-(1-hydroxycyclopropanecarbonyl)azetidin-3-yl)methyl)-4,4-dimethyl-1H-imidazol-5(4H)-one ::US9718813, Compound 79

SMILES: CC1(C)N=C(N(CC2CN(C2)C(=O)C2(O)CC2)C1=O)c1ccc(cc1F)-c1ccc2cc(F)ccc2c1

InChI Key: InChIKey=IBKLVZUKTDVKSI-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 = 269334   
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))
BDBM269334
PNG
(2-(2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl)-1-(...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2(O)CC2)C1=O)c1ccc(cc1F)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C29H27F2N3O3/c1-28(2)26(35)34(16-17-14-33(15-17)27(36)29(37)9-10-29)25(32-28)23-8-6-21(13-24(23)31)18-3-4-20-12-22(30)7-5-19(20)11-18/h3-8,11-13,17,37H,9-10,14-16H2,1-2H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 120n/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))
BDBM269334
PNG
(2-(2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl)-1-(...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2(O)CC2)C1=O)c1ccc(cc1F)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C29H27F2N3O3/c1-28(2)26(35)34(16-17-14-33(15-17)27(36)29(37)9-10-29)25(32-28)23-8-6-21(13-24(23)31)18-3-4-20-12-22(30)7-5-19(20)11-18/h3-8,11-13,17,37H,9-10,14-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 30.2n/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