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) | BDBM361184
(4′-(N-(2-aminoethyl)sulfamoyl)-N-(3-aminopro...)Show SMILES NCCCNC(=O)c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN Show InChI InChI=1S/C19H25N9O5S2/c20-7-2-9-23-19(29)13-4-1-3-12(11-13)14-5-6-15(35(32,33)24-10-8-21)17(34(22,30)31)16(14)18-25-27-28-26-18/h1,3-6,11,24H,2,7-10,20-21H2,(H,23,29)(H2,22,30,31)(H,25,26,27,28) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.474 | 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
() | BDBM361184
(4′-(N-(2-aminoethyl)sulfamoyl)-N-(3-aminopro...)Show SMILES NCCCNC(=O)c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN Show InChI InChI=1S/C19H25N9O5S2/c20-7-2-9-23-19(29)13-4-1-3-12(11-13)14-5-6-15(35(32,33)24-10-8-21)17(34(22,30)31)16(14)18-25-27-28-26-18/h1,3-6,11,24H,2,7-10,20-21H2,(H,23,29)(H2,22,30,31)(H,25,26,27,28) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.474 | 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) | BDBM361184
(4′-(N-(2-aminoethyl)sulfamoyl)-N-(3-aminopro...)Show SMILES NCCCNC(=O)c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN Show InChI InChI=1S/C19H25N9O5S2/c20-7-2-9-23-19(29)13-4-1-3-12(11-13)14-5-6-15(35(32,33)24-10-8-21)17(34(22,30)31)16(14)18-25-27-28-26-18/h1,3-6,11,24H,2,7-10,20-21H2,(H,23,29)(H2,22,30,31)(H,25,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.71 | 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) | BDBM361184
(4′-(N-(2-aminoethyl)sulfamoyl)-N-(3-aminopro...)Show SMILES NCCCNC(=O)c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN Show InChI InChI=1S/C19H25N9O5S2/c20-7-2-9-23-19(29)13-4-1-3-12(11-13)14-5-6-15(35(32,33)24-10-8-21)17(34(22,30)31)16(14)18-25-27-28-26-18/h1,3-6,11,24H,2,7-10,20-21H2,(H,23,29)(H2,22,30,31)(H,25,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.71 | 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) | BDBM361184
(4′-(N-(2-aminoethyl)sulfamoyl)-N-(3-aminopro...)Show SMILES NCCCNC(=O)c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN Show InChI InChI=1S/C19H25N9O5S2/c20-7-2-9-23-19(29)13-4-1-3-12(11-13)14-5-6-15(35(32,33)24-10-8-21)17(34(22,30)31)16(14)18-25-27-28-26-18/h1,3-6,11,24H,2,7-10,20-21H2,(H,23,29)(H2,22,30,31)(H,25,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.13 | 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) | BDBM361184
(4′-(N-(2-aminoethyl)sulfamoyl)-N-(3-aminopro...)Show SMILES NCCCNC(=O)c1cccc(c1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCCN Show InChI InChI=1S/C19H25N9O5S2/c20-7-2-9-23-19(29)13-4-1-3-12(11-13)14-5-6-15(35(32,33)24-10-8-21)17(34(22,30)31)16(14)18-25-27-28-26-18/h1,3-6,11,24H,2,7-10,20-21H2,(H,23,29)(H2,22,30,31)(H,25,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.13 | 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 | |