Found 9 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 |
|---|
Beta-lactamase
() | BDBM361183
((S)-5′-amino-N4-((R)-pyrrolidin-3-yl)-2-(2H-...)Show SMILES N[C@H]1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |c:5| Show InChI InChI=1S/C17H24N8O4S2/c18-11-3-1-2-10(8-11)13-4-5-14(31(28,29)23-12-6-7-20-9-12)16(30(19,26)27)15(13)17-21-24-25-22-17/h4-5,8,11-12,20,23H,1-3,6-7,9,18H2,(H2,19,26,27)(H,21,22,24,25)/t11-,12+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.10 | 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) | BDBM361183
((S)-5′-amino-N4-((R)-pyrrolidin-3-yl)-2-(2H-...)Show SMILES N[C@H]1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |c:5| Show InChI InChI=1S/C17H24N8O4S2/c18-11-3-1-2-10(8-11)13-4-5-14(31(28,29)23-12-6-7-20-9-12)16(30(19,26)27)15(13)17-21-24-25-22-17/h4-5,8,11-12,20,23H,1-3,6-7,9,18H2,(H2,19,26,27)(H,21,22,24,25)/t11-,12+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.89 | 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
() | BDBM361183
((S)-5′-amino-N4-((R)-pyrrolidin-3-yl)-2-(2H-...)Show SMILES N[C@H]1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |c:5| Show InChI InChI=1S/C17H24N8O4S2/c18-11-3-1-2-10(8-11)13-4-5-14(31(28,29)23-12-6-7-20-9-12)16(30(19,26)27)15(13)17-21-24-25-22-17/h4-5,8,11-12,20,23H,1-3,6-7,9,18H2,(H2,19,26,27)(H,21,22,24,25)/t11-,12+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.89 | 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) | BDBM361183
((S)-5′-amino-N4-((R)-pyrrolidin-3-yl)-2-(2H-...)Show SMILES N[C@H]1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |c:5| Show InChI InChI=1S/C17H24N8O4S2/c18-11-3-1-2-10(8-11)13-4-5-14(31(28,29)23-12-6-7-20-9-12)16(30(19,26)27)15(13)17-21-24-25-22-17/h4-5,8,11-12,20,23H,1-3,6-7,9,18H2,(H2,19,26,27)(H,21,22,24,25)/t11-,12+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6.29 | 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) | BDBM361183
((S)-5′-amino-N4-((R)-pyrrolidin-3-yl)-2-(2H-...)Show SMILES N[C@H]1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |c:5| Show InChI InChI=1S/C17H24N8O4S2/c18-11-3-1-2-10(8-11)13-4-5-14(31(28,29)23-12-6-7-20-9-12)16(30(19,26)27)15(13)17-21-24-25-22-17/h4-5,8,11-12,20,23H,1-3,6-7,9,18H2,(H2,19,26,27)(H,21,22,24,25)/t11-,12+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6.29 | 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
(Klebsiella pneumoniae) | BDBM361183
((S)-5′-amino-N4-((R)-pyrrolidin-3-yl)-2-(2H-...)Show SMILES N[C@H]1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |c:5| Show InChI InChI=1S/C17H24N8O4S2/c18-11-3-1-2-10(8-11)13-4-5-14(31(28,29)23-12-6-7-20-9-12)16(30(19,26)27)15(13)17-21-24-25-22-17/h4-5,8,11-12,20,23H,1-3,6-7,9,18H2,(H2,19,26,27)(H,21,22,24,25)/t11-,12+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 11.9 | 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
(Serratia marcescens) | BDBM361183
((S)-5′-amino-N4-((R)-pyrrolidin-3-yl)-2-(2H-...)Show SMILES N[C@H]1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |c:5| Show InChI InChI=1S/C17H24N8O4S2/c18-11-3-1-2-10(8-11)13-4-5-14(31(28,29)23-12-6-7-20-9-12)16(30(19,26)27)15(13)17-21-24-25-22-17/h4-5,8,11-12,20,23H,1-3,6-7,9,18H2,(H2,19,26,27)(H,21,22,24,25)/t11-,12+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 34.1 | 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) | BDBM361183
((S)-5′-amino-N4-((R)-pyrrolidin-3-yl)-2-(2H-...)Show SMILES N[C@H]1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |c:5| Show InChI InChI=1S/C17H24N8O4S2/c18-11-3-1-2-10(8-11)13-4-5-14(31(28,29)23-12-6-7-20-9-12)16(30(19,26)27)15(13)17-21-24-25-22-17/h4-5,8,11-12,20,23H,1-3,6-7,9,18H2,(H2,19,26,27)(H,21,22,24,25)/t11-,12+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 46.7 | 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) | BDBM361183
((S)-5′-amino-N4-((R)-pyrrolidin-3-yl)-2-(2H-...)Show SMILES N[C@H]1CCCC(=C1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |c:5| Show InChI InChI=1S/C17H24N8O4S2/c18-11-3-1-2-10(8-11)13-4-5-14(31(28,29)23-12-6-7-20-9-12)16(30(19,26)27)15(13)17-21-24-25-22-17/h4-5,8,11-12,20,23H,1-3,6-7,9,18H2,(H2,19,26,27)(H,21,22,24,25)/t11-,12+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 46.7 | 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 | |