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 |
|---|
VIM-1 metallo-beta-lactamase
(Klebsiella pneumoniae) | BDBM361339
(N1-(3-aminopropyl)-4-(6- aminopyridin-3-yl)-3-(2H-...)Show SMILES NCCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C15H19N9O4S2/c16-6-1-7-20-30(27,28)11-4-3-10(9-2-5-12(17)19-8-9)13(14(11)29(18,25)26)15-21-23-24-22-15/h2-5,8,20H,1,6-7,16H2,(H2,17,19)(H2,18,25,26)(H,21,22,23,24) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.175 | 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
() | BDBM361339
(N1-(3-aminopropyl)-4-(6- aminopyridin-3-yl)-3-(2H-...)Show SMILES NCCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C15H19N9O4S2/c16-6-1-7-20-30(27,28)11-4-3-10(9-2-5-12(17)19-8-9)13(14(11)29(18,25)26)15-21-23-24-22-15/h2-5,8,20H,1,6-7,16H2,(H2,17,19)(H2,18,25,26)(H,21,22,23,24) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.175 | 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) | BDBM361339
(N1-(3-aminopropyl)-4-(6- aminopyridin-3-yl)-3-(2H-...)Show SMILES NCCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C15H19N9O4S2/c16-6-1-7-20-30(27,28)11-4-3-10(9-2-5-12(17)19-8-9)13(14(11)29(18,25)26)15-21-23-24-22-15/h2-5,8,20H,1,6-7,16H2,(H2,17,19)(H2,18,25,26)(H,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.200 | 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) | BDBM361339
(N1-(3-aminopropyl)-4-(6- aminopyridin-3-yl)-3-(2H-...)Show SMILES NCCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C15H19N9O4S2/c16-6-1-7-20-30(27,28)11-4-3-10(9-2-5-12(17)19-8-9)13(14(11)29(18,25)26)15-21-23-24-22-15/h2-5,8,20H,1,6-7,16H2,(H2,17,19)(H2,18,25,26)(H,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.200 | 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) | BDBM361339
(N1-(3-aminopropyl)-4-(6- aminopyridin-3-yl)-3-(2H-...)Show SMILES NCCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C15H19N9O4S2/c16-6-1-7-20-30(27,28)11-4-3-10(9-2-5-12(17)19-8-9)13(14(11)29(18,25)26)15-21-23-24-22-15/h2-5,8,20H,1,6-7,16H2,(H2,17,19)(H2,18,25,26)(H,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.576 | 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 | |
Metallo-beta-lactamase type 2
(Serratia marcescens) | BDBM361339
(N1-(3-aminopropyl)-4-(6- aminopyridin-3-yl)-3-(2H-...)Show SMILES NCCCNS(=O)(=O)c1ccc(-c2ccc(N)nc2)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C15H19N9O4S2/c16-6-1-7-20-30(27,28)11-4-3-10(9-2-5-12(17)19-8-9)13(14(11)29(18,25)26)15-21-23-24-22-15/h2-5,8,20H,1,6-7,16H2,(H2,17,19)(H2,18,25,26)(H,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.576 | 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 | |