Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50018733 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 |
|---|
Putative penicillin-binding protein 2B
(Staphylococcus aureus) | BDBM50611988
(CEFTAROLINE | Ceftaroline | T 91825 | T-91825)Show SMILES [H][C@]12SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\c1nsc(N)n1)C([O-])=O |r,c:19| | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611988
(CEFTAROLINE | Ceftaroline | T 91825 | T-91825)Show SMILES [H][C@]12SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\c1nsc(N)n1)C([O-])=O |r,c:19| | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611989
(CHEMBL5271107)Show SMILES [H][C@]1([C@@H](C)O)C(=O)N2C(C([O-])=O)=C([C@H](C)[C@]12[H])c1ccc2C(=O)c3cc(C[n+]4ccn(C)c4)ccc3-c2c1 |r,c:11| | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Putative penicillin-binding protein 2B
(Staphylococcus aureus) | BDBM50611990
(CHEMBL3805841)Show SMILES OC(=O)c1cccc(c1)-n1c(\C=C\c2ccc(cc2)C#N)nc2ccccc2c1=O | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| | n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611990
(CHEMBL3805841)Show SMILES OC(=O)c1cccc(c1)-n1c(\C=C\c2ccc(cc2)C#N)nc2ccccc2c1=O | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peptidase
(Staphylococcus aureus) | BDBM50611991
(CHEMBL5290603)Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccccc1C(O)=O | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 9.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611992
(CHEMBL5272296)Show SMILES CCCOc1ccc2cc(ccc2c1)C(=O)Nc1ccc(Br)cc1C(O)=O | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611993
(CHEMBL5284661) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Penicillin-binding protein 2x
(Streptococcus pneumoniae) | BDBM50611991
(CHEMBL5290603)Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccccc1C(O)=O | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.91E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611994
(CHEMBL5283888) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611995
(CHEMBL5265794) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 9.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50420257
(CHEMBL1236749 | US20230322715, Compound ALK-07)Show SMILES CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| | n/a | n/a | 7.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidase
(Staphylococcus aureus) | BDBM50611996
(CHEMBL5274536)Show SMILES [H][C@@]12CC[C@@]34C[C@@]5(C)C=C(C(=O)OC)[C@@]33CO[C@@]4(O[C@@]3(C)CC5=O)[C@@]1([H])C=CC(=O)C2(C)C |r,c:31,t:8,TLB:8:6:17.18:14,23:22:17.18:14,7:6:17.18:14,10:9:19.22.21:4.5,3:4:9.8:19.22.21,18:19:9.8:4.5,THB:23:22:9.8:4.5,17:4:9.8:19.22.21| | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 1.84E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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