Found 3 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) | BDBM427551
(4-(2-amino-1,3- benzothiazol-4-yl)- N1-[(3- hydrox...)Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1(O)CNC1 Show InChI InChI=1S/C18H19N9O5S3/c19-17-23-14-10(2-1-3-11(14)33-17)9-4-5-12(35(31,32)22-8-18(28)6-21-7-18)15(34(20,29)30)13(9)16-24-26-27-25-16/h1-5,21-22,28H,6-8H2,(H2,19,23)(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 | 0.0650 | 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) | BDBM427551
(4-(2-amino-1,3- benzothiazol-4-yl)- N1-[(3- hydrox...)Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1(O)CNC1 Show InChI InChI=1S/C18H19N9O5S3/c19-17-23-14-10(2-1-3-11(14)33-17)9-4-5-12(35(31,32)22-8-18(28)6-21-7-18)15(34(20,29)30)13(9)16-24-26-27-25-16/h1-5,21-22,28H,6-8H2,(H2,19,23)(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 | 0.244 | 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 | |
Beta-lactamase
() | BDBM427551
(4-(2-amino-1,3- benzothiazol-4-yl)- N1-[(3- hydrox...)Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NCC1(O)CNC1 Show InChI InChI=1S/C18H19N9O5S3/c19-17-23-14-10(2-1-3-11(14)33-17)9-4-5-12(35(31,32)22-8-18(28)6-21-7-18)15(34(20,29)30)13(9)16-24-26-27-25-16/h1-5,21-22,28H,6-8H2,(H2,19,23)(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 | 0.339 | 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 | |