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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50500139'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50500139
PNG
(CHEMBL3745728)
Show SMILES [H][C@@]12CC[C@@]3(C=O)C(O)CC(C=O)=CC[C@]3([H])[C@@]1(C)CCCC2(C)C |r,c:12|
Show InChI InChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)15(18)7-10-20(13-22)16(19)6-5-14(12-21)11-17(20)23/h5,12-13,15-17,23H,4,6-11H2,1-3H3/t15-,16+,17?,19-,20-/m0/s1
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant IDO1 expressed in Escherichia coli using L-tryptophan as substrate by methylene blue/ascorbate ...


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair