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BDBM21977 Tryptamine quinone, 13::benzyl N-{2-[5-(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)-4,7-dioxo-4,7-dihydro-1H-indol-3-yl]ethyl}carbamate

SMILES: O=C(NCCc1c[nH]c2c1C(=O)C(=CC2=O)C1(C(=O)c2ccccc2C1=O)c1ccccc1)OCc1ccccc1

InChI Key: InChIKey=CNPHFRBXHZLBGR-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21977   
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


(Homo sapiens (human))
BDBM21977
PNG
(Tryptamine quinone, 13 | benzyl N-{2-[5-(1,3-dioxo...)
Show SMILES O=C(NCCc1c[nH]c2c1C(=O)C(=CC2=O)C1(C(=O)c2ccccc2C1=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C33H24N2O6/c36-26-17-25(33(22-11-5-2-6-12-22)30(38)23-13-7-8-14-24(23)31(33)39)29(37)27-21(18-35-28(26)27)15-16-34-32(40)41-19-20-9-3-1-4-10-20/h1-14,17-18,35H,15-16,19H2,(H,34,40)
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
1.09E+4 -7.04n/an/an/an/an/a6.537



University of British Columbia



Assay Description
The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...


J Med Chem 51: 2634-7 (2008)


Article DOI: 10.1021/jm800143h
BindingDB Entry DOI: 10.7270/Q2MK6B65
More data for this
Ligand-Target Pair