BindingDB logo
myBDB logout

BDBM98849 US8487093, 268

SMILES: [H][C@]12CN([C@@H](CC1)C(=O)OCCNC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1)C(=O)N2S(O)(=O)=O

InChI Key: InChIKey=CKKKKQDGZLVSNY-PVRQQBJHNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 98849   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase (AmpC)


(Pseudomonas aeruginosa)
BDBM98849
PNG
(US8487093, 268)
Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)NCCOC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(O)(=O)=O
Show InChI InChI=1/C20H23N3O11S/c1-11(24)33-16-6-3-13(9-17(16)34-12(2)25)18(26)21-7-8-32-19(27)15-5-4-14-10-22(15)20(28)23(14)35(29,30)31/h3,6,9,14-15H,4-5,7-8,10H2,1-2H3,(H,21,26)(H,29,30,31)/t14-,15+/s2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 440n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)


BindingDB Entry DOI: 10.7270/Q2057DKK
More data for this
Ligand-Target Pair
Beta-lactamase (KPC-2)


(Klebsiella pneumoniae)
BDBM98849
PNG
(US8487093, 268)
Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)NCCOC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(O)(=O)=O
Show InChI InChI=1/C20H23N3O11S/c1-11(24)33-16-6-3-13(9-17(16)34-12(2)25)18(26)21-7-8-32-19(27)15-5-4-14-10-22(15)20(28)23(14)35(29,30)31/h3,6,9,14-15H,4-5,7-8,10H2,1-2H3,(H,21,26)(H,29,30,31)/t14-,15+/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.


US Patent US8487093 (2013)


BindingDB Entry DOI: 10.7270/Q2057DKK
More data for this
Ligand-Target Pair