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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endoribonuclease toxin MazF' and Ligand = 'BDBM52143'   
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
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM52143
PNG
(2-cyano-N-(phenylmethyl)-2-(3-pyrrolidin-1-ylquino...)
Show SMILES O=C(NCc1ccccc1)C(C#N)c1nc2ccccc2nc1N1CCCC1
Show InChI InChI=1S/C22H21N5O/c23-14-17(22(28)24-15-16-8-2-1-3-9-16)20-21(27-12-6-7-13-27)26-19-11-5-4-10-18(19)25-20/h1-5,8-11,17H,6-7,12-13,15H2,(H,24,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM52143
PNG
(2-cyano-N-(phenylmethyl)-2-(3-pyrrolidin-1-ylquino...)
Show SMILES O=C(NCc1ccccc1)C(C#N)c1nc2ccccc2nc1N1CCCC1
Show InChI InChI=1S/C22H21N5O/c23-14-17(22(28)24-15-16-8-2-1-3-9-16)20-21(27-12-6-7-13-27)26-19-11-5-4-10-18(19)25-20/h1-5,8-11,17H,6-7,12-13,15H2,(H,24,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.64E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair