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SMILES: COc1ccc(cc1OC)C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(CN2CCOCC2)cc1Cl

InChI Key: InChIKey=RNMMDYOWHRACKK-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341618   
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-hydroxylase 1


(Homo sapiens (Human))		BDBM341618
PNG
(2-(2-chloro-4-(morpholinomethyl)phenoxy)-1-(5-(3,4...)
Show SMILES COc1ccc(cc1OC)C1N(CCc2nc3sccn3c12)C(=O)COc1ccc(CN2CCOCC2)cc1Cl
Show InChI InChI=1S/C29H31ClN4O5S/c1-36-24-6-4-20(16-25(24)37-2)27-28-22(31-29-34(28)11-14-40-29)7-8-33(27)26(35)18-39-23-5-3-19(15-21(23)30)17-32-9-12-38-13-10-32/h3-6,11,14-16,27H,7-10,12-13,17-18H2,1-2H3
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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)


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