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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM367856'   
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
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM367856
PNG
(3-(2-amino-1H- benzo[d]imidazol-4-yl)-6- (azetidin...)
Show SMILES Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C17H17N9O4S2/c18-17-21-11-3-1-2-10(14(11)22-17)9-4-5-12(31(27,28)8-6-20-7-8)15(32(19,29)30)13(9)16-23-25-26-24-16/h1-5,8,20H,6-7H2,(H3,18,21,22)(H2,19,29,30)(H,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0830n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM367856
PNG
(3-(2-amino-1H- benzo[d]imidazol-4-yl)-6- (azetidin...)
Show SMILES Nc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)C1CNC1
Show InChI InChI=1S/C17H17N9O4S2/c18-17-21-11-3-1-2-10(14(11)22-17)9-4-5-12(31(27,28)8-6-20-7-8)15(32(19,29)30)13(9)16-23-25-26-24-16/h1-5,8,20H,6-7H2,(H3,18,21,22)(H2,19,29,30)(H,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.828n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair