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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50335523'   
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
Beta-lactamase


(Acinetobacter baumannii)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:16|
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
PDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

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



INSERM

Curated by ChEMBL


Assay Description
Activity of Acinetobacter baumannii ADC-33 beta-lactamase


Antimicrob Agents Chemother 54: 3484-8 (2010)


Article DOI: 10.1128/AAC.00050-10
BindingDB Entry DOI: 10.7270/Q2348KM2
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:16|
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Activity of Acinetobacter baumannii ADC-11 beta-lactamase


Antimicrob Agents Chemother 54: 3484-8 (2010)


Article DOI: 10.1128/AAC.00050-10
BindingDB Entry DOI: 10.7270/Q2348KM2
More data for this
Ligand-Target Pair