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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADC-18 protein' and Ligand = 'BDBM50021954'   
Target
(Institution)
LigandTarget
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
ADC-18 protein


(Acinetobacter genomosp. 3)
BDBM50021954
PNG
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)
Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
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Article
PubMed
n/an/a 1.17E+4n/an/an/an/an/an/a



Complejo Hospitalario Universitario Juan Canalejo-INIBIC

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter genomosp. 3 isolate 195 ADC-18


Antimicrob Agents Chemother 53: 1177-84 (2009)

More data for this
Ligand-Target Pair