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SMILES: CC1(C)OC2=C([C@H](SCc3ccccc3)[C@H]1O)C(=O)c1ccccc1C2=O

InChI Key: InChIKey=XESIDOYGJXCFLE-LEWJYISDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24809   
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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM24809
PNG
((3S,4S)-4-(benzylsulfanyl)-3-hydroxy-2,2-dimethyl-...)
Show SMILES CC1(C)OC2=C([C@H](SCc3ccccc3)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C22H20O4S/c1-22(2)21(25)20(27-12-13-8-4-3-5-9-13)16-17(23)14-10-6-7-11-15(14)18(24)19(16)26-22/h3-11,20-21,25H,12H2,1-2H3/t20-,21+/m0/s1
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MMDB

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Article
PubMed
n/an/a 2.12E+3n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...

J Med Chem 51: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair