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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rhomboid protease (EcGlpG)' AND taxid = 83333   
Target
(Institution)
LigandTarget
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
Rhomboid protease (EcGlpG)


(Escherichia coli (Enterobacteria))
BDBM50199883
PNG
(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Show SMILES Clc1oc(=O)c2ccccc2c1Cl
Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 1.90E+4n/an/an/an/a7.437



Technische Universität München



Assay Description
We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.


Citation and Details
More data for this
Ligand-Target Pair
Rhomboid protease (EcGlpG)


(Escherichia coli (Enterobacteria))
BDBM165197
PNG
((4S)‐3‐butyl‐4‐(pent‐...)
Show SMILES CCCC[C@H]1[C@H](CCCC#C)OC1=O
Show InChI InChI=1/C12H18O2/c1-3-5-7-9-11-10(8-6-4-2)12(13)14-11/h1,10-11H,4-9H2,2H3/t10-,11-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.40E+4n/an/an/an/a7.437



Technische Universität München



Assay Description
We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.


Citation and Details
More data for this
Ligand-Target Pair