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BDBM341476 (R)-6-chloro-5-(2-(5-(5-(dimethylcarbamoyl)-3-fluorothiophen-2-yl)-2-methyl-7,8-dihydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)-2-oxoethoxy)-N,N-dimethylpicolinamide::US9765092, Example 1.24.11

SMILES: CN(C)C(=O)c1cc(F)c(s1)[C@@H]1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)C(=O)N(C)C

InChI Key: InChIKey=KTCCBXLJTDZGHX-HXUWFJFHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341476   
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))
BDBM341476
PNG
((R)-6-chloro-5-(2-(5-(5-(dimethylcarbamoyl)-3-fluo...)
Show SMILES CN(C)C(=O)c1cc(F)c(s1)[C@@H]1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)C(=O)N(C)C
Show InChI InChI=1S/C25H25ClFN7O4S2/c1-12-30-34-19-14(29-25(34)39-12)8-9-33(20(19)21-13(27)10-17(40-21)24(37)32(4)5)18(35)11-38-16-7-6-15(28-22(16)26)23(36)31(2)3/h6-7,10,20H,8-9,11H2,1-5H3/t20-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4n/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
More data for this
Ligand-Target Pair