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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peptidase' and Ligand = 'BDBM50483019'   
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)
BDBM50483019
PNG
(CS-023 | R-115685 | R-1558 | R-1L5685 | Ro-4908463...)
Show SMILES [H][C@]12[C@@H](C)C(S[C@H]3C[C@H](N(C)C3)C(=O)N3CC[C@@H](C3)NC(=O)CNC(N)=N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O |c:28|
Show InChI InChI=1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.39E+3n/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)
BDBM50483019
PNG
(CS-023 | R-115685 | R-1558 | R-1L5685 | Ro-4908463...)
Show SMILES [H][C@]12[C@@H](C)C(S[C@H]3C[C@H](N(C)C3)C(=O)N3CC[C@@H](C3)NC(=O)CNC(N)=N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O |c:28|
Show InChI InChI=1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.85E+3n/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