BindingDB logo
myBDB logout

BDBM269337 2-(4-(6-fluoronaphthalen-2-yl)-2-methylphenyl)-4,4-dimethyl-1-((1-(1-methylcyclopropanecarbonyl)azetidin-3-yl)methyl)-1H-imidazol-5(4H)-one ::US10413545, Compound 82::US9718813, Compound 82

SMILES: Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc2cc(F)ccc2c1

InChI Key: InChIKey=NOHLSHKNBLBCON-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 269337   
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))
BDBM269337
PNG
(2-(4-(6-fluoronaphthalen-2-yl)-2-methylphenyl)-4,4...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C31H32FN3O2/c1-19-13-21(22-5-6-24-15-25(32)9-7-23(24)14-22)8-10-26(19)27-33-30(2,3)28(36)35(27)18-20-16-34(17-20)29(37)31(4)11-12-31/h5-10,13-15,20H,11-12,16-18H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 33.9n/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)


BindingDB Entry DOI: 10.7270/Q2QV3PJB
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM269337
PNG
(2-(4-(6-fluoronaphthalen-2-yl)-2-methylphenyl)-4,4...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C31H32FN3O2/c1-19-13-21(22-5-6-24-15-25(32)9-7-23(24)14-22)8-10-26(19)27-33-30(2,3)28(36)35(27)18-20-16-34(17-20)29(37)31(4)11-12-31/h5-10,13-15,20H,11-12,16-18H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 33.9n/an/an/an/an/an/a



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 US10413545 (2019)


BindingDB Entry DOI: 10.7270/Q2H134CB
More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (Human))
BDBM269337
PNG
(2-(4-(6-fluoronaphthalen-2-yl)-2-methylphenyl)-4,4...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C31H32FN3O2/c1-19-13-21(22-5-6-24-15-25(32)9-7-23(24)14-22)8-10-26(19)27-33-30(2,3)28(36)35(27)18-20-16-34(17-20)29(37)31(4)11-12-31/h5-10,13-15,20H,11-12,16-18H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 50.1n/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)


BindingDB Entry DOI: 10.7270/Q2QV3PJB
More data for this
Ligand-Target Pair