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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peptidase' and Ligand = 'BDBM50129062'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peptidase


(Staphylococcus aureus)
BDBM50129062
PNG
(CHEBI:43968 | ICI-194660 | Meropenem | Merrem | Me...)
Show SMILES [H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H] |r,t:11|
Show InChI InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.38E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to PBP2a in methicillin-resistant Staphylococcus aureus 12386-1 by [14C]benzylpenicillin labelled competitive assay


Antimicrob Agents Chemother 52: 2849-54 (2008)


Article DOI: 10.1128/AAC.00413-08
BindingDB Entry DOI: 10.7270/Q24F1TK8
More data for this
Ligand-Target Pair
Peptidase


(Staphylococcus aureus)
BDBM50129062
PNG
(CHEBI:43968 | ICI-194660 | Meropenem | Merrem | Me...)
Show SMILES [H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H] |r,t:11|
Show InChI InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.39E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to PBP2a in methicillin-resistant Staphylococcus aureus 123-1 by [14C]benzylpenicillin labelled competitive assay


Antimicrob Agents Chemother 52: 2849-54 (2008)


Article DOI: 10.1128/AAC.00413-08
BindingDB Entry DOI: 10.7270/Q24F1TK8
More data for this
Ligand-Target Pair