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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50001959   
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


(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
PC cid
PC sid
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
PC cid
PC sid
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
PC cid
PC sid
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
PC cid
PC sid
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