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BDBM50145673 CHEMBL3765147

SMILES: Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(NC2CCCCC2)n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F

InChI Key: InChIKey=DPLKYMPQVFRMOZ-IQHZPMLTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50145673   
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))
BDBM50145673
PNG
(CHEMBL3765147)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(NC2CCCCC2)n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F |r|
Show InChI InChI=1S/C31H37ClF3N7O3/c1-19-9-12-42(40-19)24-15-20(32)7-8-22(24)27(31(33,34)35)45-26-16-25(38-29(39-26)37-21-5-3-2-4-6-21)41-13-10-30(11-14-41)17-23(28(43)44)36-18-30/h7-9,12,15-16,21,23,27,36H,2-6,10-11,13-14,17-18H2,1H3,(H,43,44)(H,37,38,39)/t23?,27-/m1/s1
PDB
MMDB

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Similars

PubMed
n/an/a 79n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 1124-9 (2016)


BindingDB Entry DOI: 10.7270/Q2WD42DJ
More data for this
Ligand-Target Pair