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BDBM24825 (benzylsulfanyl)-N-(1H-indol-3-ylmethyl)carbothioamide::Brassinin derivative, 13

SMILES: S=C(NCc1c[nH]c2ccccc12)SCc1ccccc1

InChI Key: InChIKey=IFFQOFPVVYVJCA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24825   
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))
BDBM24825
PNG
((benzylsulfanyl)-N-(1H-indol-3-ylmethyl)carbothioa...)
Show SMILES S=C(NCc1c[nH]c2ccccc12)SCc1ccccc1
Show InChI InChI=1S/C17H16N2S2/c20-17(21-12-13-6-2-1-3-7-13)19-11-14-10-18-16-9-5-4-8-15(14)16/h1-10,18H,11-12H2,(H,19,20)
PDB
MMDB

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Article
PubMed
1.32E+4 -6.92n/an/an/an/an/a6.537



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 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair