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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rhomboid protease (PsAarA)' AND taxid = 588   
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 (PsAarA)


(Providencia stuartii (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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 1.00E+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 (PsAarA)


(Providencia stuartii (Enterobacteria))
BDBM165194
PNG
(4‐Chloro‐7‐nitro‐3‐[...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1
Show InChI InChI=1S/C20H18ClNO5/c21-18-16-11-10-15(22(24)25)13-17(16)19(23)27-20(18)26-12-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.00E+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