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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'AmpC'   
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
AmpC


(Escherichia coli)
BDBM50240480
PNG
((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...)
Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O
Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Patents

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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Basilea Pharmaceutica International Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 AmpC


Citation and Details
More data for this
Ligand-Target Pair
AmpC


(Escherichia coli)
BDBM50327179
PNG
((S)-3-(2-(2-aminothiazol-4-yl)-2-((1,5-dihydroxy-4...)
Show SMILES CC1(C)[C@H](NC(=O)C(=N/OCc2cc(=O)c(O)cn2O)\c2csc(N)n2)C(=O)N1OS(O)(=O)=O
Show InChI InChI=1S/C16H18N6O10S2/c1-16(2)12(14(26)22(16)32-34(28,29)30)19-13(25)11(8-6-33-15(17)18-8)20-31-5-7-3-9(23)10(24)4-21(7)27/h3-4,6,12,24,27H,5H2,1-2H3,(H2,17,18)(H,19,25)(H,28,29,30)/b20-11-/t12-/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Basilea Pharmaceutica International Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 AmpC


Citation and Details
More data for this
Ligand-Target Pair