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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Arginase (SmARG)' and Ligand = 'BDBM130378'   
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
Arginase (SmARG)


(Schistosoma mansoni (flatworms))
BDBM130378
PNG
(2(S)-amino-6-boronohexanoic acid (ABH))
Show SMILES N[C@@H](CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
1.80E+3n/an/an/an/an/an/a8.5n/a



University of Pennsylvania



Assay Description
Briefly, 0.5-50 mM L-arginine (pH 8.5) was added to a solution of 50 mM 4-(2-hydroxyethyl)piperazine-1-propanesulfonic acid (EPPS) (pH 8.5) and 100 &...


Biochemistry 53: 4671-4684 (2014)


Article DOI: 10.1021/bi5004519
BindingDB Entry DOI: 10.7270/Q2RR1WZQ
More data for this
Ligand-Target Pair
Arginase (SmARG)


(Schistosoma mansoni (flatworms))
BDBM130378
PNG
(2(S)-amino-6-boronohexanoic acid (ABH))
Show SMILES N[C@@H](CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.30E+3n/an/an/a8.5n/a



University of Pennsylvania



Assay Description
SmARG was dialyzed against 50 mM bicine (pH 8.5), 100 μM MnCl2, and 1.0 mM TCEP [5% (v/v) DMSO was included in the dialysis buffer when SmARG wa...


Biochemistry 53: 4671-4684 (2014)


Article DOI: 10.1021/bi5004519
BindingDB Entry DOI: 10.7270/Q2RR1WZQ
More data for this
Ligand-Target Pair