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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 174.9
BDBM50427901

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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-1


(Homo sapiens (Human))
BDBM50427901
PNG
(CHEMBL2326088)
Show SMILES N[C@H](CCCCB(O)O)C(O)=O |r|
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-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery , LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ...


J Med Chem 56: 2568-80 (2013)


Article DOI: 10.1021/jm400014c
BindingDB Entry DOI: 10.7270/Q2BC40WP
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50427901
PNG
(CHEMBL2326088)
Show SMILES N[C@H](CCCCB(O)O)C(O)=O |r|
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-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.92E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery , LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant fully active truncated form of arginase 2 overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea ...


J Med Chem 56: 2568-80 (2013)


Article DOI: 10.1021/jm400014c
BindingDB Entry DOI: 10.7270/Q2BC40WP
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50427901
PNG
(CHEMBL2326088)
Show SMILES N[C@H](CCCCB(O)O)C(O)=O |r|
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-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery , LLC

Curated by ChEMBL


Assay Description
Inhibition of human arginase 1 transfected in CHO cells assessed as inhibition of urea formation after 24 hrs by spectrophotometric analysis


J Med Chem 56: 2568-80 (2013)


Article DOI: 10.1021/jm400014c
BindingDB Entry DOI: 10.7270/Q2BC40WP
More data for this
Ligand-Target Pair