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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'AmpC'   
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
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=1/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-/s2
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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


Antimicrob Agents Chemother 54: 2291-302 (2010)


Article DOI: 10.1128/AAC.01525-09
BindingDB Entry DOI: 10.7270/Q20P1071
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=1/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-/s2
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

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


Antimicrob Agents Chemother 54: 2291-302 (2010)


Article DOI: 10.1128/AAC.01525-09
BindingDB Entry DOI: 10.7270/Q20P1071
More data for this
Ligand-Target Pair
Beta-lactamase


(Bacillus cereus)
BDBM50450973
PNG
(CHEMBL4209255)
Show SMILES OB(O)CNC(=O)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1nnn[nH]1
Show InChI InChI=1S/C10H9BF3N5O5S/c12-10(13,14)6-1-5(8-16-18-19-17-8)2-7(3-6)25(23,24)9(20)15-4-11(21)22/h1-3,21-22H,4H2,(H,15,20)(H,16,17,18,19)
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
0.0500n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Bacillus cereus beta-lactamase AmpC using CENTA as substrate up to 30 mins by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 27: 4221-4228 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase


(Bacillus cereus)
BDBM50450974
PNG
(CHEMBL4206040)
Show SMILES OB(O)CNC(=O)S(=O)(=O)c1cc(Cl)cc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C9H9BClN5O5S/c11-6-1-5(8-13-15-16-14-8)2-7(3-6)22(20,21)9(17)12-4-10(18)19/h1-3,18-19H,4H2,(H,12,17)(H,13,14,15,16)
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
0.200n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Bacillus cereus beta-lactamase AmpC using CENTA as substrate up to 30 mins by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 27: 4221-4228 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase


(Bacillus cereus)
BDBM50450969
PNG
(CHEMBL4217629)
Show SMILES OB(O)CNC(=O)S(=O)(=O)c1ccnc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C8H9BN6O5S/c16-8(11-4-9(17)18)21(19,20)5-1-2-10-6(3-5)7-12-14-15-13-7/h1-3,17-18H,4H2,(H,11,16)(H,12,13,14,15)
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
0.800n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Bacillus cereus beta-lactamase AmpC using CENTA as substrate up to 30 mins by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 27: 4221-4228 (2017)

More data for this
Ligand-Target Pair
Beta-lactamase


(Bacillus cereus)
BDBM50450975
PNG
(CHEMBL4204887)
Show SMILES OB(O)CNC(=O)S(=O)(=O)Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C10H12BNO7S/c13-9(14)8-3-1-2-7(4-8)5-20(18,19)10(15)12-6-11(16)17/h1-4,16-17H,5-6H2,(H,12,15)(H,13,14)
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Inhibition of Bacillus cereus beta-lactamase AmpC using CENTA as substrate up to 30 mins by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 27: 4221-4228 (2017)

More data for this
Ligand-Target Pair