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BDBM341572 (R)-1-(5-(2,4-dimethylthiazol-5-yl)-2-methyl-7,8-dihydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)-2-((6-(1,1-dioxidoisothiazolidin-2-yl)-2-ethylpyridin-3-yl)oxy)ethanone::US9765092, Example 1.68.8

SMILES: CCc1nc(ccc1OCC(=O)N1CCc2nc3sc(C)nn3c2[C@@H]1c1sc(C)nc1C)N1CCCS1(=O)=O

InChI Key: InChIKey=TXXZPALKCRDUOA-HSZRJFAPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341572   
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))
BDBM341572
PNG
((R)-1-(5-(2,4-dimethylthiazol-5-yl)-2-methyl-7,8-d...)
Show SMILES CCc1nc(ccc1OCC(=O)N1CCc2nc3sc(C)nn3c2[C@@H]1c1sc(C)nc1C)N1CCCS1(=O)=O
Show InChI InChI=1S/C25H29N7O4S3/c1-5-17-19(7-8-20(27-17)31-10-6-12-39(31,34)35)36-13-21(33)30-11-9-18-22(32-25(28-18)38-16(4)29-32)23(30)24-14(2)26-15(3)37-24/h7-8,23H,5-6,9-13H2,1-4H3/t23-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Article
US Patent
n/an/a 5n/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