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BDBM269300 (R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-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 45

SMILES: Cn1cc(cn1)-c1ccc(cc1)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2CC2)c(F)c1

InChI Key: InChIKey=LSPCBIRSCVVDPC-LJQANCHMSA-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 = 269300   
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))
BDBM269300
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C30H32FN5O2/c1-30(2)29(38)36(17-19-12-13-35(16-19)28(37)22-8-9-22)27(33-30)25-11-10-23(14-26(25)31)20-4-6-21(7-5-20)24-15-32-34(3)18-24/h4-7,10-11,14-15,18-19,22H,8-9,12-13,16-17H2,1-3H3/t19-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 112n/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))
BDBM269300
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C30H32FN5O2/c1-30(2)29(38)36(17-19-12-13-35(16-19)28(37)22-8-9-22)27(33-30)25-11-10-23(14-26(25)31)20-4-6-21(7-5-20)24-15-32-34(3)18-24/h4-7,10-11,14-15,18-19,22H,8-9,12-13,16-17H2,1-3H3/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 63.1n/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