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Compile Data Set for Download or QSAR

Found 1114 hits Enz. Inhib. hit(s) with Target = 'Arginase'   
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-2, mitochondrial


(Homo sapiens (Human))
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][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-/m0/s1
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PubMed
8.5n/an/an/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Binding affinity to human arginase 2


J Med Chem 54: 5432-43 (2011)


Article DOI: 10.1021/jm200443b
BindingDB Entry DOI: 10.7270/Q2TH8N21
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][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-/m0/s1
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8.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50561046
PNG
(CHEMBL4790798)
Show SMILES NC(CCCCB(O)O)(CCCNCCc1ccccc1)C(O)=O
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<10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 using L-arginine as substrate after 60 mins by spectrophotometric analysis


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))
BDBM50561046
PNG
(CHEMBL4790798)
Show SMILES NC(CCCCB(O)O)(CCCNCCc1ccccc1)C(O)=O
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<10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 using L-arginine as substrate after 60 mins by spectrophotometric analysis


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-2, mitochondrial


(Homo sapiens (Human))
BDBM50561045
PNG
(CHEMBL4758805)
Show SMILES NC(CCCCB(O)O)(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)C(O)=O
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<10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 using L-arginine as substrate after 60 mins by spectrophotometric analysis


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))
BDBM50561045
PNG
(CHEMBL4758805)
Show SMILES NC(CCCCB(O)O)(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)C(O)=O
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<10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 using L-arginine as substrate after 60 mins by spectrophotometric analysis


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-2, mitochondrial


(Homo sapiens (Human))
BDBM50561034
PNG
(CHEMBL4244287)
Show SMILES N[C@@H](CSCCB(O)O)C(O)=O |r|
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50008099
PNG
(CHEMBL1234777)
Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r|
Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
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51n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50008099
PNG
(CHEMBL1234777)
Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r|
Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
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51n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of arginase 2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.12.044
BindingDB Entry DOI: 10.7270/Q2736THR
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50294581
PNG
(3-phenylprop-1-enylboronic acid | CHEMBL539140)
Show SMILES OB(O)\C=C\Cc1ccccc1
Show InChI InChI=1S/C9H11BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8,11-12H,7H2/b8-4+
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89n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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200n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substr...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50561034
PNG
(CHEMBL4244287)
Show SMILES N[C@@H](CSCCB(O)O)C(O)=O |r|
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310n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM23416
PNG
(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
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600n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substr...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50241867
PNG
(((2R,3R,4R,5R,6R)-6-(3,4-dihydroxyphenethoxy)-5-hy...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
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700n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Competitive inhibition of Leishmania amazonensis arginase assessed as inhibition constant for enzyme-inhibitor complex using L-arginine as substrate ...


J Nat Prod 79: 1459-63 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00875
BindingDB Entry DOI: 10.7270/Q2G73J78
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50446567
PNG
(CHEMBL3109443)
Show SMILES CC(=O)O[C@H]1[C@@H](Oc2cc(OC(C)=O)cc(OC(C)=O)c2C1=O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C21H18O10/c1-9(22)28-13-7-16(29-10(2)23)18-17(8-13)31-20(21(19(18)27)30-11(3)24)12-4-5-14(25)15(26)6-12/h4-8,20-21,25-26H,1-3H3/t20-,21+/m0/s1
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900n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substr...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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1.20E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substr...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50521944
PNG
(CHEMBL4204512)
Show SMILES CC(=O)Nc1ccc(C)cc1C(F)(F)C(=O)NNc1ccccc1
Show InChI InChI=1S/C17H17F2N3O2/c1-11-8-9-15(20-12(2)23)14(10-11)17(18,19)16(24)22-21-13-6-4-3-5-7-13/h3-10,21H,1-2H3,(H,20,23)(H,22,24)
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1.30E+3n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production by measu...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(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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1.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

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


(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
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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


(Schistosoma mansoni (flatworms))
BDBM130379
PNG
(N-hydroxy-L-arginine (NOHA))
Show SMILES NC(=N)NCCC[C@H](NO)C(O)=O
Show InChI InChI=1S/C6H14N4O3/c7-6(8)9-3-1-2-4(10-13)5(11)12/h4,10,13H,1-3H2,(H,11,12)(H4,7,8,9)/t4-/m0/s1
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3.70E+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


(Leishmania amazonensis)
BDBM50446568
PNG
(CHEMBL3109439)
Show SMILES C[C@H]1O[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-22,24-30H,1H3/t6-,14-,17+,18+,21-/m1/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substr...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50316603
PNG
(2-(S)-amino-5-(2-aminoimidazol-1-yl)pentanoic acid...)
Show SMILES N[C@@H](CCCn1ccnc1N)C(O)=O |r|
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50521942
PNG
(CHEMBL4216180)
Show SMILES CC(=O)Nc1ccccc1C(F)(F)C(=O)NNc1ccccc1
Show InChI InChI=1S/C16H15F2N3O2/c1-11(22)19-14-10-6-5-9-13(14)16(17,18)15(23)21-20-12-7-3-2-4-8-12/h2-10,20H,1H3,(H,19,22)(H,21,23)
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5.10E+3n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production by measu...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM84978
PNG
(Quercitrin | cid_5280459)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-24,26-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
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7.90E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substr...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Plasmodium falciparum)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][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-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum arginase using L-arginine as substrate by colorimetric assay


J Med Chem 54: 5432-43 (2011)


Article DOI: 10.1021/jm200443b
BindingDB Entry DOI: 10.7270/Q2TH8N21
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50510706
PNG
(CHEMBL4515068)
Show SMILES Cc1cc(NNC(N)=S)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N7S/c1-3-2-4(15-16-6(12)19)18-7(13-3)14-5(17-18)8(9,10)11/h2,15H,1H3,(H3,12,16,19)
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1.70E+4n/an/an/an/an/an/an/an/a



Instituto de Tecnologia em Farmacos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Leishmania amazonensis arginase using L-arginine as substrate incubated for 15 mins


Bioorg Med Chem 27: 3061-3069 (2019)


Article DOI: 10.1016/j.bmc.2019.05.026
BindingDB Entry DOI: 10.7270/Q2SX6HJQ
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50375814
PNG
(CHEMBL260628)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(NO)N=O |r|
Show InChI InChI=1S/C7H16N4O4/c1-11(7(9-14)10-15)4-2-3-5(8)6(12)13/h5,7,9,14H,2-4,8H2,1H3,(H,12,13)/t5-,7?/m0/s1
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1.71E+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


(Leishmania amazonensis)
BDBM50521943
PNG
(CHEMBL4574177)
Show SMILES CC(=O)Nc1ccccc1C(F)(F)C(=O)NNc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H14F5N3O2/c1-10(26)23-14-5-3-2-4-13(14)16(18,19)15(27)25-24-12-8-6-11(7-9-12)17(20,21)22/h2-9,24H,1H3,(H,23,26)(H,25,27)
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2.60E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production by measu...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
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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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


(Leishmania amazonensis)
BDBM50521947
PNG
(CHEMBL4530523)
Show SMILES CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H16F2N2O2/c1-12(22)21-15-10-6-5-9-14(15)17(18,19)16(23)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
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3.20E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production by measu...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase-1


(Rattus norvegicus)
BDBM50354832
PNG
(CHEMBL1834160)
Show SMILES N[C@@H](CCCCC=O)C(O)=O |r|
Show InChI InChI=1S/C7H13NO3/c8-6(7(10)11)4-2-1-3-5-9/h5-6H,1-4,8H2,(H,10,11)/t6-/m0/s1
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6.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553165
PNG
(CHEMBL4754674)
Show SMILES Oc1ccc(CNc2ccc(O)c(O)c2)cc1O
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8.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553165
PNG
(CHEMBL4754674)
Show SMILES Oc1ccc(CNc2ccc(O)c(O)c2)cc1O
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8.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553165
PNG
(CHEMBL4754674)
Show SMILES Oc1ccc(CNc2ccc(O)c(O)c2)cc1O
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8.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Cornish-Bowden plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50608139
PNG
(CHEMBL5287570)
Show SMILES N[C@@H](CCCCS(N)(=O)=O)C(O)=O |r|
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9.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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1.36E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Cornish-Bowden plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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1.36E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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1.36E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase


(Plasmodium falciparum)
BDBM50350309
PNG
(CHEMBL1812662)
Show SMILES CC([NH3+])(CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)
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2.60E+5n/an/an/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum arginase using L-arginine as substrate by colorimetric assay


J Med Chem 54: 5432-43 (2011)


Article DOI: 10.1021/jm200443b
BindingDB Entry DOI: 10.7270/Q2TH8N21
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50462601
PNG
(CHEMBL4250607)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)C(O)=O
Show InChI InChI=1S/C9H10FN3O2/c10-7(8(14)15)5-1-3-6(4-2-5)13-9(11)12/h1-4,7H,(H,14,15)(H4,11,12,13)
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2.75E+5n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Irreversible inhibition of human arginase 1 using thioarginine as substrate measured up to 360 mins by UV micro plate method


Bioorg Med Chem 26: 3939-3946 (2018)


Article DOI: 10.1016/j.bmc.2018.06.015
BindingDB Entry DOI: 10.7270/Q2TX3J1K
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50316607
PNG
(2-amino-L-histidine | CHEMBL1099167 | L-2-aminohis...)
Show SMILES N[C@@H](Cc1cnc(N)[nH]1)C(O)=O |r|
Show InChI InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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3.00E+5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50462601
PNG
(CHEMBL4250607)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)C(O)=O
Show InChI InChI=1S/C9H10FN3O2/c10-7(8(14)15)5-1-3-6(4-2-5)13-9(11)12/h1-4,7H,(H,14,15)(H4,11,12,13)
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3.22E+5n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Irreversible inhibition of human arginase 2 using thioarginine as substrate measured up to 360 mins by UV micro plate method


Bioorg Med Chem 26: 3939-3946 (2018)


Article DOI: 10.1016/j.bmc.2018.06.015
BindingDB Entry DOI: 10.7270/Q2TX3J1K
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50462600
PNG
(CHEMBL4238387)
Show SMILES CC(=O)OC(C(O)=O)c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C11H13N3O4/c1-6(15)18-9(10(16)17)7-2-4-8(5-3-7)14-11(12)13/h2-5,9H,1H3,(H,16,17)(H4,12,13,14)
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3.82E+5n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Irreversible inhibition of human arginase 1 using thioarginine as substrate measured up to 360 mins by UV micro plate method


Bioorg Med Chem 26: 3939-3946 (2018)


Article DOI: 10.1016/j.bmc.2018.06.015
BindingDB Entry DOI: 10.7270/Q2TX3J1K
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50462600
PNG
(CHEMBL4238387)
Show SMILES CC(=O)OC(C(O)=O)c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C11H13N3O4/c1-6(15)18-9(10(16)17)7-2-4-8(5-3-7)14-11(12)13/h2-5,9H,1H3,(H,16,17)(H4,12,13,14)
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4.37E+5n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Irreversible inhibition of human arginase 2 using thioarginine as substrate measured up to 360 mins by UV micro plate method


Bioorg Med Chem 26: 3939-3946 (2018)


Article DOI: 10.1016/j.bmc.2018.06.015
BindingDB Entry DOI: 10.7270/Q2TX3J1K
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50316604
PNG
((S)-2-amino-5-(imidazol-2-ylamino)pentanoic acid |...)
Show SMILES N[C@@H](CCCNc1ncc[nH]1)C(O)=O |r|
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-3-10-8-11-4-5-12-8/h4-6H,1-3,9H2,(H,13,14)(H2,10,11,12)/t6-/m0/s1
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5.00E+5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Arginase


(Plasmodium falciparum)
BDBM50350310
PNG
(CHEMBL1812663)
Show SMILES [NH3+]C(CCCCB(O)O)(C(F)F)C([O-])=O
Show InChI InChI=1S/C7H14BF2NO4/c9-5(10)7(11,6(12)13)3-1-2-4-8(14)15/h5,14-15H,1-4,11H2,(H,12,13)
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2.00E+6n/an/an/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum arginase using L-arginine as substrate by colorimetric assay


J Med Chem 54: 5432-43 (2011)


Article DOI: 10.1021/jm200443b
BindingDB Entry DOI: 10.7270/Q2TH8N21
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50316606
PNG
((2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic ...)
Show SMILES N[C@@H](CCc1cnc(N)[nH]1)C(O)=O |r|
Show InChI InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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3.00E+6n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Homo sapiens (Human))
BDBM50316608
PNG
(1H-Imidazol-2-yl-ammonium | 1H-Imidazol-2-ylamine ...)
Show SMILES Nc1ncc[nH]1
Show InChI InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
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3.60E+6n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50316603
PNG
(2-(S)-amino-5-(2-aminoimidazol-1-yl)pentanoic acid...)
Show SMILES N[C@@H](CCCn1ccnc1N)C(O)=O |r|
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1
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3.00E+7n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50316605
PNG
(2-amino-5-(2-aminoimidazol-4-yl)pentanoic acid | C...)
Show SMILES NC(CCCc1cnc(N)[nH]1)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)3-1-2-5-4-11-8(10)12-5/h4,6H,1-3,9H2,(H,13,14)(H3,10,11,12)
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>8.00E+7n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
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