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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50212638'   
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


(Proteus mirabilis)
BDBM50212638
PNG
(CHEMBL302512)
Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Proteus vulgaris HJ33C Class-I beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase


(Citrobacter freundii)
BDBM50212638
PNG
(CHEMBL302512)
Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 37.4n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella oxytoca)
BDBM50212638
PNG
(CHEMBL302512)
Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 72n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Klebsiella oxytoca HC7 Class-IV K1 type beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase


(Staphylococcus aureus)
BDBM50212638
PNG
(CHEMBL302512)
Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 181n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50212638
PNG
(CHEMBL302512)
Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 374n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Enterobacter cloacae HC8 Class-I beta-lactamase enzyme type P99


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair