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BDBM269342 4,4-dimethyl-2-(3-methyl-4'-(1-methyl-1H-pyrazol-4-yl)-[1,1'-biphenyl]-4-yl)-1-((1-(1-methylcyclopropanecarbonyl)azetidin-3-yl)methyl)-1H-imidazol-5(4H)-one ::US9718813, Compound 87

SMILES: Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc(cc1)-c1cnn(C)c1

InChI Key: InChIKey=LMNYQWFQBUBMCZ-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 = 269342   
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))
BDBM269342
PNG
(4,4-dimethyl-2-(3-methyl-4'-(1-methyl-1H-pyrazol-4...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C31H35N5O2/c1-20-14-24(22-6-8-23(9-7-22)25-15-32-34(5)19-25)10-11-26(20)27-33-30(2,3)28(37)36(27)18-21-16-35(17-21)29(38)31(4)12-13-31/h6-11,14-15,19,21H,12-13,16-18H2,1-5H3
GoogleScholar
AffyNet 
UniChem
n/an/a 87.1n/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))
BDBM269342
PNG
(4,4-dimethyl-2-(3-methyl-4'-(1-methyl-1H-pyrazol-4...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C31H35N5O2/c1-20-14-24(22-6-8-23(9-7-22)25-15-32-34(5)19-25)10-11-26(20)27-33-30(2,3)28(37)36(27)18-21-16-35(17-21)29(38)31(4)12-13-31/h6-11,14-15,19,21H,12-13,16-18H2,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 75.9n/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 US9718813 (2017)

More data for this
Ligand-Target Pair