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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 = 'BDBM367868'   
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)
BDBM367868
PNG
(3-(2-amino-1H- benzo[d]imidazol-4-yl)-6-(1- (methy...)
Show SMILES CS(=O)(=O)N1CC(C1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C18H19N9O6S3/c1-34(28,29)27-7-9(8-27)35(30,31)13-6-5-10(11-3-2-4-12-15(11)22-18(19)21-12)14(16(13)36(20,32)33)17-23-25-26-24-17/h2-6,9H,7-8H2,1H3,(H3,19,21,22)(H2,20,32,33)(H,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0820n/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)
BDBM367868
PNG
(3-(2-amino-1H- benzo[d]imidazol-4-yl)-6-(1- (methy...)
Show SMILES CS(=O)(=O)N1CC(C1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Show InChI InChI=1S/C18H19N9O6S3/c1-34(28,29)27-7-9(8-27)35(30,31)13-6-5-10(11-3-2-4-12-15(11)22-18(19)21-12)14(16(13)36(20,32)33)17-23-25-26-24-17/h2-6,9H,7-8H2,1H3,(H3,19,21,22)(H2,20,32,33)(H,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.42n/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