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BDBM50128865 6-Nitro-chrysene::CHEMBL82858

SMILES: [O-][N+](=O)c1cc2c3ccccc3ccc2c2ccccc12

InChI Key: InChIKey=UAWLTQJFZUYROA-UHFFFAOYSA-N

Data: 1 KI

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50128865   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50128865
PNG
(6-Nitro-chrysene | CHEMBL82858)
Show SMILES [O-][N+](=O)c1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H
PDB
MMDB

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Similars

Article
PubMed
6.70E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair