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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Arginase-1' and Ligand = 'BDBM290372'   
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))
BDBM290372
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)pyrrolidine-3-ca...)
Show SMILES N[C@]1(CNC[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C8H17BN2O4/c10-8(7(12)13)5-11-4-6(8)2-1-3-9(14)15/h6,11,14-15H,1-5,10H2,(H,12,13)/t6-,8-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



New England Discovery Partners

Curated by ChEMBL


Assay Description
Inhibition of human recombinant arginase 1 expressed in Escherichia coli BL21 (DE3) assessed as reduction in urea production using L-arginine as subs...


J Med Chem 62: 8164-8177 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00931
BindingDB Entry DOI: 10.7270/Q2X92FM9
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM290372
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)pyrrolidine-3-ca...)
Show SMILES N[C@]1(CNC[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C8H17BN2O4/c10-8(7(12)13)5-11-4-6(8)2-1-3-9(14)15/h6,11,14-15H,1-5,10H2,(H,12,13)/t6-,8-/m0/s1
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n/an/a 113n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human arginase1 in presence of DNTB by thio ornithine generation assay


ACS Med Chem Lett 11: 582-588 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00058
BindingDB Entry DOI: 10.7270/Q26113VN
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM290372
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)pyrrolidine-3-ca...)
Show SMILES N[C@]1(CNC[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C8H17BN2O4/c10-8(7(12)13)5-11-4-6(8)2-1-3-9(14)15/h6,11,14-15H,1-5,10H2,(H,12,13)/t6-,8-/m0/s1
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n/an/a 625n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of arginase I (ARG I) and arginase II (ARG II) by Formula I or Formula II compounds is followed spectrophotometrically at 530 nm. The comp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q289193N
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM290372
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)pyrrolidine-3-ca...)
Show SMILES N[C@]1(CNC[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C8H17BN2O4/c10-8(7(12)13)5-11-4-6(8)2-1-3-9(14)15/h6,11,14-15H,1-5,10H2,(H,12,13)/t6-,8-/m0/s1
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US Patent
n/an/a 625n/an/an/an/a7.425



Mars, Incorporated

US Patent


Assay Description
Inhibition of arginase I (ARG I) and arginase II (ARG II) by Formula I or Formula II compounds is followed spectrophotometrically at 530 nm. The comp...


US Patent US10098902 (2018)


BindingDB Entry DOI: 10.7270/Q2319XXK
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM290372
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)pyrrolidine-3-ca...)
Show SMILES N[C@]1(CNC[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C8H17BN2O4/c10-8(7(12)13)5-11-4-6(8)2-1-3-9(14)15/h6,11,14-15H,1-5,10H2,(H,12,13)/t6-,8-/m0/s1
PDB
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US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a



Mars, Incorporated

US Patent


Assay Description
Inhibition of arginase I (ARG I) and arginase II (ARG II) by Formula I or Formula II compounds is followed spectrophotometrically at 530 nm. The comp...


US Patent US10603330 (2020)


BindingDB Entry DOI: 10.7270/Q2WD43K6
More data for this
Ligand-Target Pair