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BDBM269277 1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-2-(3-fluoro-4'-(pyridin-4-yl)-[1,1'-biphenyl]-4-yl)-4,4-dimethyl-1H-imidazol-5(4H)-one ::US9718813, Compound 22

SMILES: CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc(cc1)-c1ccncc1

InChI Key: InChIKey=OZFRBNOTYCAXID-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 = 269277   
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))
BDBM269277
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C30H29FN4O2/c1-30(2)29(37)35(18-19-16-34(17-19)28(36)23-7-8-23)27(33-30)25-10-9-24(15-26(25)31)21-5-3-20(4-6-21)22-11-13-32-14-12-22/h3-6,9-15,19,23H,7-8,16-18H2,1-2H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 269n/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))
BDBM269277
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C30H29FN4O2/c1-30(2)29(37)35(18-19-16-34(17-19)28(36)23-7-8-23)27(33-30)25-10-9-24(15-26(25)31)21-5-3-20(4-6-21)22-11-13-32-14-12-22/h3-6,9-15,19,23H,7-8,16-18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 158n/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