BindingDB logo
myBDB logout

BDBM341657 2-(2-ethyl-4-fluorophenoxy)-1-(5-(2-fluoro-4-methyl-phenyl)-7,8-dihydrothiazolo[2',3':2,3]imidazo[4,5-c]-pyridin-6(5H)-yl)ethanone::US9765092, Example 6.10.4

SMILES: CCc1cc(F)ccc1OCC(=O)N1CCc2nc3sccn3c2C1c1ccc(C)cc1F

InChI Key: InChIKey=IYMAFIRQTJKLMH-UHFFFAOYNA-N

Data: 1 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 1 hit for monomerid = 341657   
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
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341657
PNG
(2-(2-ethyl-4-fluorophenoxy)-1-(5-(2-fluoro-4-methy...)
Show SMILES CCc1cc(F)ccc1OCC(=O)N1CCc2nc3sccn3c2C1c1ccc(C)cc1F
Show InChI InChI=1/C25H23F2N3O2S/c1-3-16-13-17(26)5-7-21(16)32-14-22(31)29-9-8-20-24(30-10-11-33-25(30)28-20)23(29)18-6-4-15(2)12-19(18)27/h4-7,10-13,23H,3,8-9,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 6n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair