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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Arginase-1' and Ligand = 'BDBM50230418'   
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


(Bos taurus)
BDBM50230418
PNG
(CHEMBL260629 | N(gamma)-hydroxy-L-arginine | N-OME...)
Show SMILES NC(NO)=NCCC[C@H]([NH3+])C([O-])=O |r,w:4.4|
Show InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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Article
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of bovine liver arginase


Bioorg Med Chem 16: 2305-12 (2008)


Article DOI: 10.1016/j.bmc.2007.11.066
BindingDB Entry DOI: 10.7270/Q2KW5GXN
More data for this
Ligand-Target Pair
Arginase-1


(Rattus norvegicus)
BDBM50230418
PNG
(CHEMBL260629 | N(gamma)-hydroxy-L-arginine | N-OME...)
Show SMILES NC(NO)=NCCC[C@H]([NH3+])C([O-])=O |r,w:4.4|
Show InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat Arg1 at pH 7.4


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50230418
PNG
(CHEMBL260629 | N(gamma)-hydroxy-L-arginine | N-OME...)
Show SMILES NC(NO)=NCCC[C@H]([NH3+])C([O-])=O |r,w:4.4|
Show InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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n/an/an/a 3.60E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human Arg1 at pH 8.5


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair