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BDBM269288 1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-2-(3-fluoro-4'-(1-methyl-1H-pyrazol-4-yl)-[1,1'-biphenyl]-4-yl)-4,4-dimethyl-1H-imidazol-5(4H)-one ::US9718813, Compound 33

SMILES: Cn1cc(cn1)-c1ccc(cc1)-c1ccc(C2=NC(C)(C)C(=O)N2CC2CN(C2)C(=O)C2CC2)c(F)c1

InChI Key: InChIKey=PUUIYIMOUIQTFI-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 = 269288   
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))
BDBM269288
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(C2=NC(C)(C)C(=O)N2CC2CN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C29H30FN5O2/c1-29(2)28(37)35(16-18-14-34(15-18)27(36)21-8-9-21)26(32-29)24-11-10-22(12-25(24)30)19-4-6-20(7-5-19)23-13-31-33(3)17-23/h4-7,10-13,17-18,21H,8-9,14-16H2,1-3H3
GoogleScholar
AffyNet 
UniChem
n/an/a 417n/an/an/an/an/an/a



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))
BDBM269288
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(C2=NC(C)(C)C(=O)N2CC2CN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C29H30FN5O2/c1-29(2)28(37)35(16-18-14-34(15-18)27(36)21-8-9-21)26(32-29)24-11-10-22(12-25(24)30)19-4-6-20(7-5-19)23-13-31-33(3)17-23/h4-7,10-13,17-18,21H,8-9,14-16H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 182n/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 US9718813 (2017)

More data for this
Ligand-Target Pair