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BDBM50376532 CHEMBL255234

SMILES: Cc1ccccc1NC(=S)N1N=C(C[C@H]1c1ccc(O)cc1)c1ccccc1O

InChI Key: InChIKey=XXIDJQPCNSHLTE-NRFANRHFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50376532   
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
Yersiniabactin siderophore biosynthetic protein


(Yersinia pestis CA88-4125)
BDBM50376532
PNG
(CHEMBL255234)
Show SMILES Cc1ccccc1NC(=S)N1N=C(C[C@H]1c1ccc(O)cc1)c1ccccc1O
Show InChI InChI=1S/C23H21N3O2S/c1-15-6-2-4-8-19(15)24-23(29)26-21(16-10-12-17(27)13-11-16)14-20(25-26)18-7-3-5-9-22(18)28/h2-13,21,27-28H,14H2,1H3,(H,24,29)/t21-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Weill Medical College of Cornell University

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein


Bioorg Med Chem Lett 18: 2662-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.025
BindingDB Entry DOI: 10.7270/Q2W096TB
More data for this
Ligand-Target Pair