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BDBM269328 (R)-2-(2-fluoro-4-(1-methyl-1H-indazol-5-yl)phenyl)-4,4-dimethyl-1-((1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-1H-imidazol-5(4H)-one ::US9718813, Compound 73

SMILES: Cn1ncc2cc(ccc12)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2(C)CC2)c(F)c1

InChI Key: InChIKey=DNECODVNOXZDNR-GOSISDBHSA-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 = 269328   
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))
BDBM269328
PNG
((R)-2-(2-fluoro-4-(1-methyl-1H-indazol-5-yl)phenyl...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2(C)CC2)c(F)c1
Show InChI InChI=1S/C29H32FN5O2/c1-28(2)26(36)35(17-18-9-12-34(16-18)27(37)29(3)10-11-29)25(32-28)22-7-5-20(14-23(22)30)19-6-8-24-21(13-19)15-31-33(24)4/h5-8,13-15,18H,9-12,16-17H2,1-4H3/t18-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 67.6n/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))
BDBM269328
PNG
((R)-2-(2-fluoro-4-(1-methyl-1H-indazol-5-yl)phenyl...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2(C)CC2)c(F)c1
Show InChI InChI=1S/C29H32FN5O2/c1-28(2)26(36)35(17-18-9-12-34(16-18)27(37)29(3)10-11-29)25(32-28)22-7-5-20(14-23(22)30)19-6-8-24-21(13-19)15-31-33(24)4/h5-8,13-15,18H,9-12,16-17H2,1-4H3/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 66.1n/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