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BDBM50347180 CHEMBL1795563

SMILES: CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(N)s1

InChI Key: InChIKey=JBGPDTXUSIZENA-NDENLUEZSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50347180   
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 SHV-5


(Klebsiella pneumoniae)
BDBM50347180
PNG
(CHEMBL1795563)
Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(N)s1
Show InChI InChI=1S/C14H13FN5O5PS/c1-24-20-12(11-6-18-14(17)27-11)13(21)19-7-26(22,23)25-9-3-2-8(5-16)10(15)4-9/h2-4,6H,7H2,1H3,(H2,17,18)(H,19,21)(H,22,23)/b20-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae beta lactamase SHV-5


Bioorg Med Chem Lett 21: 4363-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.122
BindingDB Entry DOI: 10.7270/Q24Q7V94
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
BDBM50347180
PNG
(CHEMBL1795563)
Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(N)s1
Show InChI InChI=1S/C14H13FN5O5PS/c1-24-20-12(11-6-18-14(17)27-11)13(21)19-7-26(22,23)25-9-3-2-8(5-16)10(15)4-9/h2-4,6H,7H2,1H3,(H2,17,18)(H,19,21)(H,22,23)/b20-12-
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter baumannii beta lactamase OXA-40


Bioorg Med Chem Lett 21: 4363-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.122
BindingDB Entry DOI: 10.7270/Q24Q7V94
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50347180
PNG
(CHEMBL1795563)
Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(N)s1
Show InChI InChI=1S/C14H13FN5O5PS/c1-24-20-12(11-6-18-14(17)27-11)13(21)19-7-26(22,23)25-9-3-2-8(5-16)10(15)4-9/h2-4,6H,7H2,1H3,(H2,17,18)(H,19,21)(H,22,23)/b20-12-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter cloacae beta lactamase P99


Bioorg Med Chem Lett 21: 4363-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.122
BindingDB Entry DOI: 10.7270/Q24Q7V94
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50347180
PNG
(CHEMBL1795563)
Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(N)s1
Show InChI InChI=1S/C14H13FN5O5PS/c1-24-20-12(11-6-18-14(17)27-11)13(21)19-7-26(22,23)25-9-3-2-8(5-16)10(15)4-9/h2-4,6H,7H2,1H3,(H2,17,18)(H,19,21)(H,22,23)/b20-12-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta lactamase AmpC


Bioorg Med Chem Lett 21: 4363-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.122
BindingDB Entry DOI: 10.7270/Q24Q7V94
More data for this
Ligand-Target Pair