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BDBM341713 1-(6-Chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-2-methyl-7,8-dihydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)-2-oxoethoxy)pyridin-2-yl)pyrrolidin-2-one::US9765092, Example 1.4.17

SMILES: Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCCC1=O)c1ccc(Cl)cc1F

InChI Key: InChIKey=KLUIVTATVMXJSU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341713   
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))
BDBM341713
PNG
(1-(6-Chloro-5-(2-(5-(4-chloro-2-fluorophenyl)-2-me...)
Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCCC1=O)c1ccc(Cl)cc1F
Show InChI InChI=1S/C25H21Cl2FN6O3S/c1-13-31-34-23-17(29-25(34)38-13)8-10-33(22(23)15-5-4-14(26)11-16(15)28)21(36)12-37-18-6-7-19(30-24(18)27)32-9-2-3-20(32)35/h4-7,11,22H,2-3,8-10,12H2,1H3
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PC cid
PC sid
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Article
US Patent
n/an/a 2n/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