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BDBM50167821 CHEMBL3797220

SMILES: CC1CCCCN1c1ccccc1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1

InChI Key: InChIKey=IKEIRATTZXTIKJ-FMHOSQOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50167821   
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_UNCURATED


(Homo sapiens (Human))
BDBM50167821
PNG
(CHEMBL3797220)
Show SMILES CC1CCCCN1c1ccccc1CN\C(N)=N\C(=O)c1ccc(C[C@H](N)C(O)=O)cc1 |r|
Show InChI InChI=1/C24H31N5O3/c1-16-6-4-5-13-29(16)21-8-3-2-7-19(21)15-27-24(26)28-22(30)18-11-9-17(10-12-18)14-20(25)23(31)32/h2-3,7-12,16,20H,4-6,13-15,25H2,1H3,(H,31,32)(H3,26,27,28,30)/t16?,20-/s2
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PC cid
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n/an/a 15n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair