Found 6 hits in this display Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae) | BDBM361098
(4-(2-amino-1H- benzo[d]imidazol-4-yl)-N1- (azetidi...)Show SMILES CN(C1CNC1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C18H20N10O4S2/c1-28(9-7-21-8-9)34(31,32)13-6-5-10(11-3-2-4-12-15(11)23-18(19)22-12)14(16(13)33(20,29)30)17-24-26-27-25-17/h2-6,9,21H,7-8H2,1H3,(H3,19,22,23)(H2,20,29,30)(H,24,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.113 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| |
US Patent US10544130 (2020)
BindingDB Entry DOI: 10.7270/Q2C82CQH |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae) | BDBM361098
(4-(2-amino-1H- benzo[d]imidazol-4-yl)-N1- (azetidi...)Show SMILES CN(C1CNC1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C18H20N10O4S2/c1-28(9-7-21-8-9)34(31,32)13-6-5-10(11-3-2-4-12-15(11)23-18(19)22-12)14(16(13)33(20,29)30)17-24-26-27-25-17/h2-6,9,21H,7-8H2,1H3,(H3,19,22,23)(H2,20,29,30)(H,24,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.113 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| 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 ... |
US Patent US10221163 (2019)
BindingDB Entry DOI: 10.7270/Q2RX9FB1 |
More data for this Ligand-Target Pair | |
Beta-lactamase
() | BDBM361098
(4-(2-amino-1H- benzo[d]imidazol-4-yl)-N1- (azetidi...)Show SMILES CN(C1CNC1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C18H20N10O4S2/c1-28(9-7-21-8-9)34(31,32)13-6-5-10(11-3-2-4-12-15(11)23-18(19)22-12)14(16(13)33(20,29)30)17-24-26-27-25-17/h2-6,9,21H,7-8H2,1H3,(H3,19,22,23)(H2,20,29,30)(H,24,25,26,27) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.936 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| |
US Patent US10544130 (2020)
BindingDB Entry DOI: 10.7270/Q2C82CQH |
More data for this Ligand-Target Pair | |
VIM-1 metallo-beta-lactamase
(Klebsiella pneumoniae) | BDBM361098
(4-(2-amino-1H- benzo[d]imidazol-4-yl)-N1- (azetidi...)Show SMILES CN(C1CNC1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C18H20N10O4S2/c1-28(9-7-21-8-9)34(31,32)13-6-5-10(11-3-2-4-12-15(11)23-18(19)22-12)14(16(13)33(20,29)30)17-24-26-27-25-17/h2-6,9,21H,7-8H2,1H3,(H3,19,22,23)(H2,20,29,30)(H,24,25,26,27) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.936 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| 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 ... |
US Patent US10221163 (2019)
BindingDB Entry DOI: 10.7270/Q2RX9FB1 |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Serratia marcescens) | BDBM361098
(4-(2-amino-1H- benzo[d]imidazol-4-yl)-N1- (azetidi...)Show SMILES CN(C1CNC1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C18H20N10O4S2/c1-28(9-7-21-8-9)34(31,32)13-6-5-10(11-3-2-4-12-15(11)23-18(19)22-12)14(16(13)33(20,29)30)17-24-26-27-25-17/h2-6,9,21H,7-8H2,1H3,(H3,19,22,23)(H2,20,29,30)(H,24,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.84 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| 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 ... |
US Patent US10221163 (2019)
BindingDB Entry DOI: 10.7270/Q2RX9FB1 |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Serratia marcescens) | BDBM361098
(4-(2-amino-1H- benzo[d]imidazol-4-yl)-N1- (azetidi...)Show SMILES CN(C1CNC1)S(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C18H20N10O4S2/c1-28(9-7-21-8-9)34(31,32)13-6-5-10(11-3-2-4-12-15(11)23-18(19)22-12)14(16(13)33(20,29)30)17-24-26-27-25-17/h2-6,9,21H,7-8H2,1H3,(H3,19,22,23)(H2,20,29,30)(H,24,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.84 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| 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 ... |
US Patent US10544130 (2020)
BindingDB Entry DOI: 10.7270/Q2C82CQH |
More data for this Ligand-Target Pair | |