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Compile Data Set for Download or QSAR

Found 135 hits Enz. Inhib. hit(s) with Target = 'Arginase-1'   
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))
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-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-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-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-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-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
3D
3D Structure (crystal)
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
Arginase-1


(Homo sapiens (Human))
BDBM50439246
PNG
(CHEMBL2418830)
Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(Cl)cc1)C(O)=O |TLB:17:16:12.13:9.10.15|
Show InChI InChI=1S/C20H30BClN2O4/c22-16-5-3-14(4-6-16)13-24-17-7-8-18(24)12-15(11-17)20(23,19(25)26)9-1-2-10-21(27)28/h3-6,15,17-18,27-28H,1-2,7-13,23H2,(H,25,26)
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n/an/a 17n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50439247
PNG
(CHEMBL2418831)
Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(Cl)c(Cl)c1)C(O)=O |TLB:17:16:12.13:9.10.15|
Show InChI InChI=1S/C20H29BCl2N2O4/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28)29/h3,6,9,14-16,28-29H,1-2,4-5,7-8,10-12,24H2,(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50439245
PNG
(CHEMBL2418991)
Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(F)c(F)c1)C(O)=O |TLB:17:16:12.13:9.10.15|
Show InChI InChI=1S/C20H29BF2N2O4/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28)29/h3,6,9,14-16,28-29H,1-2,4-5,7-8,10-12,24H2,(H,26,27)
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n/an/a 22n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50439244
PNG
(CHEMBL2418829)
Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccccc1)C(O)=O |TLB:17:16:12.13:9.10.15|
Show InChI InChI=1S/C20H31BN2O4/c22-20(19(24)25,10-4-5-11-21(26)27)16-12-17-8-9-18(13-16)23(17)14-15-6-2-1-3-7-15/h1-3,6-7,16-18,26-27H,4-5,8-14,22H2,(H,24,25)
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n/an/a 24n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50427899
PNG
(CHEMBL2326090)
Show SMILES CN[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C14H29BN2O4/c1-16-14(13(18)19,7-3-4-9-15(20)21)8-12-17-10-5-2-6-11-17/h16,20-21H,2-12H2,1H3,(H,18,19)/t14-/m1/s1
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n/an/a 60n/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-1


(Homo sapiens (Human))
BDBM50439242
PNG
(CHEMBL2418828)
Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2)C(O)=O
Show InChI InChI=1S/C13H25BN2O4/c15-13(12(17)18,5-1-2-6-14(19)20)9-7-10-3-4-11(8-9)16-10/h9-11,16,19-20H,1-8,15H2,(H,17,18)
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n/an/a 80n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50427903
PNG
(CHEMBL2326087)
Show SMILES CC(C)NCC[C@](N)(CCCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C11H25BN2O4/c1-9(2)14-8-6-11(13,10(15)16)5-3-4-7-12(17)18/h9,14,17-18H,3-8,13H2,1-2H3,(H,15,16)/t11-/m1/s1
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n/an/a 100n/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-1


(Homo sapiens (Human))
BDBM50439243
PNG
(CHEMBL2418998)
Show SMILES NC(CCCCB(O)O)(C1CCN(CCCc2ccc(Cl)cc2Cl)CC1)C(O)=O
Show InChI InChI=1S/C20H31BCl2N2O4/c22-17-6-5-15(18(23)14-17)4-3-11-25-12-7-16(8-13-25)20(24,19(26)27)9-1-2-10-21(28)29/h5-6,14,16,28-29H,1-4,7-13,24H2,(H,26,27)
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n/an/a 100n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50439241
PNG
(CHEMBL2418999)
Show SMILES NC(CCCCB(O)O)(C1CCN(CCCc2ccc(cc2)C(F)(F)F)CC1)C(O)=O
Show InChI InChI=1S/C21H32BF3N2O4/c23-21(24,25)18-7-5-16(6-8-18)4-3-13-27-14-9-17(10-15-27)20(26,19(28)29)11-1-2-12-22(30)31/h5-8,17,30-31H,1-4,9-15,26H2,(H,28,29)
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n/an/a 120n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50427904
PNG
(CHEMBL2326086)
Show SMILES CCCN(C)CC[C@](N)(CCCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C12H27BN2O4/c1-3-9-15(2)10-7-12(14,11(16)17)6-4-5-8-13(18)19/h18-19H,3-10,14H2,1-2H3,(H,16,17)/t12-/m1/s1
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n/an/a 140n/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-1


(Homo sapiens (Human))
BDBM50427911
PNG
(CHEMBL2326095)
Show SMILES N[C@](CCCCB(O)O)(CCN1CCCC1)C(O)=O |r|
Show InChI InChI=1S/C12H25BN2O4/c14-12(11(16)17,5-1-2-7-13(18)19)6-10-15-8-3-4-9-15/h18-19H,1-10,14H2,(H,16,17)/t12-/m1/s1
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n/an/a 160n/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-1


(Homo sapiens (Human))
BDBM50439240
PNG
(CHEMBL2418993)
Show SMILES CC(C)CCN1CCC(CC1)C(N)(CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C16H33BN2O4/c1-13(2)5-10-19-11-6-14(7-12-19)16(18,15(20)21)8-3-4-9-17(22)23/h13-14,22-23H,3-12,18H2,1-2H3,(H,20,21)
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n/an/a 180n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50439238
PNG
(CHEMBL2418995)
Show SMILES NC(CCCCB(O)O)(C1CCN(Cc2ccc(Cl)cc2)CC1)C(O)=O
Show InChI InChI=1S/C18H28BClN2O4/c20-16-5-3-14(4-6-16)13-22-11-7-15(8-12-22)18(21,17(23)24)9-1-2-10-19(25)26/h3-6,15,25-26H,1-2,7-13,21H2,(H,23,24)
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n/an/a 190n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50439239
PNG
(CHEMBL2418994)
Show SMILES NC(CCCCB(O)O)(C1CCN(Cc2ccccc2)CC1)C(O)=O
Show InChI InChI=1S/C18H29BN2O4/c20-18(17(22)23,10-4-5-11-19(24)25)16-8-12-21(13-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16,24-25H,4-5,8-14,20H2,(H,22,23)
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n/an/a 200n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50439237
PNG
(CHEMBL2418996)
Show SMILES NC(CCCCB(O)O)(C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(O)=O
Show InChI InChI=1S/C18H27BCl2N2O4/c20-15-4-3-13(11-16(15)21)12-23-9-5-14(6-10-23)18(22,17(24)25)7-1-2-8-19(26)27/h3-4,11,14,26-27H,1-2,5-10,12,22H2,(H,24,25)
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n/an/a 200n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50427909
PNG
(CHEMBL2326097)
Show SMILES COC[C@@H]1CCCN1CC[C@](N)(CCCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C14H29BN2O5/c1-22-11-12-5-4-9-17(12)10-7-14(16,13(18)19)6-2-3-8-15(20)21/h12,20-21H,2-11,16H2,1H3,(H,18,19)/t12-,14+/m0/s1
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n/an/a 210n/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-1


(Homo sapiens (Human))
BDBM50439236
PNG
(CHEMBL2418997)
Show SMILES NC(CCCCB(O)O)(C1CCN(CCc2ccc(Cl)cc2Cl)CC1)C(O)=O
Show InChI InChI=1S/C19H29BCl2N2O4/c21-16-4-3-14(17(22)13-16)5-10-24-11-6-15(7-12-24)19(23,18(25)26)8-1-2-9-20(27)28/h3-4,13,15,27-28H,1-2,5-12,23H2,(H,25,26)
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n/an/a 210n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50427900
PNG
((R)-2-amino-6-borono-2-[2-(piperidin-1-yl)ethyl]he...)
Show SMILES N[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1
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n/an/a 223n/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-1


(Homo sapiens (Human))
BDBM50427913
PNG
(CHEMBL2326093)
Show SMILES N[C@](CCCCB(O)O)(CCN1CCC(O)CC1)C(O)=O |r|
Show InChI InChI=1S/C13H27BN2O5/c15-13(12(18)19,5-1-2-7-14(20)21)6-10-16-8-3-11(17)4-9-16/h11,17,20-21H,1-10,15H2,(H,18,19)/t13-/m1/s1
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n/an/a 230n/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-1


(Homo sapiens (Human))
BDBM290401
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(pyrrolidin-2...)
Show SMILES N[C@]1(CN(CC2CCCN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290378
PNG
((3R,4S)-3-amino-1-(2-aminocyclopentyl)-4-(3- boron...)
Show SMILES NC1CCCC1N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290402
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(2-(pyrrolidi...)
Show SMILES N[C@]1(CN(CCN2CCCC2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290368
PNG
((2S,3S)-3-amino-2-(3-boronopropyl)tetrahydrofuran-...)
Show SMILES N[C@]1(CCO[C@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290380
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(3-(4- carbox...)
Show SMILES N[C@]1(CN(CCCc2ccccc2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290382
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(piperidin-3-...)
Show SMILES N[C@]1(CN(CC2CCCNC2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290384
PNG
((3R,4S)-1-((1H-imidazol-4-yl)methyl)-3-amino-4-(3-...)
Show SMILES N[C@]1(CN(Cc2c[nH]cn2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290385
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(piperidin-2-...)
Show SMILES N[C@]1(CN(CC2CCCCN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290388
PNG
((3R,4S)-3-amino-1-(2-aminoethyl)-4-(3-boronopropyl...)
Show SMILES NCCN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290391
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1,3'-bipyrrolid...)
Show SMILES N[C@]1(CN(C[C@@H]1CCCB(O)O)C1CCNC1)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290392
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(piperidin-3-...)
Show SMILES N[C@]1(CN(C[C@@H]1CCCB(O)O)C1CCCNC1)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290395
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((1-methyl-1H...)
Show SMILES Cn1ccnc1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290397
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(2-(piperidin...)
Show SMILES N[C@]1(CN(CCN2CCCCC2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290398
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(2- (diethyla...)
Show SMILES CCN(CC)CCN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290400
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((1-methylpip...)
Show SMILES CN1CCCCC1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290403
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(((S)-1,2,3,4...)
Show SMILES N[C@]1(CN(C[C@@H]2Cc3ccccc3CN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290404
PNG
((3R,4S)-3-amino-1-(2-(benzylamino)ethyl)-4-(3- bor...)
Show SMILES N[C@]1(CN(CCNCc2ccccc2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290405
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(2-(3,4- dich...)
Show SMILES N[C@]1(CN(CCNCc2ccc(Cl)c(Cl)c2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290407
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((S)-pyrrolid...)
Show SMILES N[C@]1(CN(C[C@@H]1CCCB(O)O)C(=O)C1CCCN1)C(O)=O |r|
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UniChem
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290408
PNG
((3R,4S)-3-amino-1-(2-aminocyclohexyl)-4-(3- borono...)
Show SMILES NC1CCCCC1N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290413
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((7-chloro-1,...)
Show SMILES N[C@]1(CN(CC2Cc3ccc(Cl)cc3CN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290415
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-((6-chloro-1,...)
Show SMILES N[C@]1(CN(CC2Cc3cc(Cl)ccc3CN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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


(Homo sapiens (Human))
BDBM290416
PNG
((3R,4S)-3-amino-1-(2-(biphenyl-4-ylamino)ethyl)-4-...)
Show SMILES N[C@]1(CN(CCNc2ccc(cc2)-c2ccccc2)C[C@@H]1CCCB(O)O)C(O)=O |r|
PDB
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n/an/a<250n/an/an/an/a7.425



Mars, Incorporated

US Patent




US Patent US10098902 (2018)


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