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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transforming protein RhoA' and Ligand = 'BDBM50347735'   
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
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50347735
PNG
(CHEMBL1802523)
Show SMILES OS(=O)(=O)c1ccc2c(NC3=CC(=O)C(=O)c4ccccc34)cccc2c1 |t:10|
Show InChI InChI=1S/C20H13NO5S/c22-19-11-18(15-5-1-2-6-16(15)20(19)23)21-17-7-3-4-12-10-13(27(24,25)26)8-9-14(12)17/h1-11,21H,(H,24,25,26)
PDB
MMDB

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Similars

Article
PubMed
n/an/an/a 1.31E+4n/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to rhoA by SPR assay


J Med Chem 54: 4508-22 (2011)


Article DOI: 10.1021/jm200161c
BindingDB Entry DOI: 10.7270/Q2C53M61
More data for this
Ligand-Target Pair