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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM51975'   
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
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM51975
PNG
(6-(2-methylpropyl)-4-[1-(6-methylpyridin-2-yl)-1,3...)
Show SMILES CC(C)Cc1cc([nH]c(=O)n1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)n1
Show InChI InChI=1S/C26H27N5O2/c1-15(2)13-17-14-22(30-26(33)28-17)25(32)31-12-11-19-18-8-4-5-9-20(18)29-23(19)24(31)21-10-6-7-16(3)27-21/h4-10,14-15,24,29H,11-13H2,1-3H3,(H,28,30,33)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NS0S90
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM51975
PNG
(6-(2-methylpropyl)-4-[1-(6-methylpyridin-2-yl)-1,3...)
Show SMILES CC(C)Cc1cc([nH]c(=O)n1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)n1
Show InChI InChI=1S/C26H27N5O2/c1-15(2)13-17-14-22(30-26(33)28-17)25(32)31-12-11-19-18-8-4-5-9-20(18)29-23(19)24(31)21-10-6-7-16(3)27-21/h4-10,14-15,24,29H,11-13H2,1-3H3,(H,28,30,33)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.93E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2X63KBQ
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM51975
PNG
(6-(2-methylpropyl)-4-[1-(6-methylpyridin-2-yl)-1,3...)
Show SMILES CC(C)Cc1cc([nH]c(=O)n1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)n1
Show InChI InChI=1S/C26H27N5O2/c1-15(2)13-17-14-22(30-26(33)28-17)25(32)31-12-11-19-18-8-4-5-9-20(18)29-23(19)24(31)21-10-6-7-16(3)27-21/h4-10,14-15,24,29H,11-13H2,1-3H3,(H,28,30,33)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J101MD
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM51975
PNG
(6-(2-methylpropyl)-4-[1-(6-methylpyridin-2-yl)-1,3...)
Show SMILES CC(C)Cc1cc([nH]c(=O)n1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)n1
Show InChI InChI=1S/C26H27N5O2/c1-15(2)13-17-14-22(30-26(33)28-17)25(32)31-12-11-19-18-8-4-5-9-20(18)29-23(19)24(31)21-10-6-7-16(3)27-21/h4-10,14-15,24,29H,11-13H2,1-3H3,(H,28,30,33)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SF2TM0
More data for this
Ligand-Target Pair