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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Outer membrane protein MIP' and Ligand = 'BDBM50200288'   
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
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50200288
PNG
(CHEMBL3921322)
Show SMILES O=C(OCCOc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O5S/c23-20(27-14-13-26-18-9-6-11-21-15-18)19-10-4-5-12-22(19)28(24,25)16-17-7-2-1-3-8-17/h1-3,6-9,11,15,19H,4-5,10,12-14,16H2/t19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Mip PPIase activity in Legionella pneumophila


Bioorg Med Chem 24: 5134-5147 (2016)


Article DOI: 10.1016/j.bmc.2016.08.025
BindingDB Entry DOI: 10.7270/Q2GF0WGG
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50200288
PNG
(CHEMBL3921322)
Show SMILES O=C(OCCOc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O5S/c23-20(27-14-13-26-18-9-6-11-21-15-18)19-10-4-5-12-22(19)28(24,25)16-17-7-2-1-3-8-17/h1-3,6-9,11,15,19H,4-5,10,12-14,16H2/t19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.76E+3n/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of Mip PPIase activity in Legionella pneumophila


Bioorg Med Chem 24: 5134-5147 (2016)


Article DOI: 10.1016/j.bmc.2016.08.025
BindingDB Entry DOI: 10.7270/Q2GF0WGG
More data for this
Ligand-Target Pair