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Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'howard' and Initial = 'ei'   
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))
BDBM50509011
PNG
(CHEMBL4538713)
Show SMILES N[C@H](CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C17H28BN3O4/c19-15(9-13-5-2-1-3-6-13)11-21-10-14(7-4-8-18(24)25)17(20,12-21)16(22)23/h1-3,5-6,14-15,24-25H,4,7-12,19-20H2,(H,22,23)/t14-,15-,17-/m0/s1
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n/an/a 1.30n/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))
BDBM50509016
PNG
(CHEMBL4450972)
Show SMILES N[C@H](CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C16H26BN3O4/c18-14(12-5-2-1-3-6-12)10-20-9-13(7-4-8-17(23)24)16(19,11-20)15(21)22/h1-3,5-6,13-14,23-24H,4,7-11,18-19H2,(H,21,22)/t13-,14+,16-/m0/s1
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n/an/a 2.5n/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))
BDBM50509014
PNG
(CHEMBL4557975)
Show SMILES N[C@]1(CN(C[C@H]2CCCCN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C14H28BN3O4/c16-14(13(19)20)10-18(9-12-5-1-2-7-17-12)8-11(14)4-3-6-15(21)22/h11-12,17,21-22H,1-10,16H2,(H,19,20)/t11-,12+,14-/m0/s1
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n/an/a 2.60n/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))
BDBM50509010
PNG
(CHEMBL4518246)
Show SMILES C[C@H](N)CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C11H24BN3O4/c1-8(13)5-15-6-9(3-2-4-12(18)19)11(14,7-15)10(16)17/h8-9,18-19H,2-7,13-14H2,1H3,(H,16,17)/t8-,9-,11-/m0/s1
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n/an/a 7.70n/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))
BDBM50509018
PNG
(CHEMBL4461464)
Show SMILES N[C@@H](CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C17H28BN3O4/c19-15(9-13-5-2-1-3-6-13)11-21-10-14(7-4-8-18(24)25)17(20,12-21)16(22)23/h1-3,5-6,14-15,24-25H,4,7-12,19-20H2,(H,22,23)/t14-,15+,17-/m0/s1
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n/an/a 10n/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))
BDBM50509015
PNG
(CHEMBL4594157)
Show SMILES N[C@]1(CN(C[C@H]2CCCN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C13H26BN3O4/c15-13(12(18)19)9-17(8-11-4-2-6-16-11)7-10(13)3-1-5-14(20)21/h10-11,16,20-21H,1-9,15H2,(H,18,19)/t10-,11+,13-/m0/s1
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n/an/a 10n/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))
BDBM50509012
PNG
(CHEMBL4572850)
Show SMILES N[C@]1(CN(C[C@@H]2COCCN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C13H26BN3O5/c15-13(12(18)19)9-17(7-11-8-22-5-4-16-11)6-10(13)2-1-3-14(20)21/h10-11,16,20-21H,1-9,15H2,(H,18,19)/t10-,11+,13-/m0/s1
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n/an/a 10n/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))
BDBM50509017
PNG
(CHEMBL4578964)
Show SMILES N[C@]1(CN(C[C@@H]2CCCN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C13H26BN3O4/c15-13(12(18)19)9-17(8-11-4-2-6-16-11)7-10(13)3-1-5-14(20)21/h10-11,16,20-21H,1-9,15H2,(H,18,19)/t10-,11-,13-/m0/s1
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n/an/a 11n/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))
BDBM50509009
PNG
(CHEMBL4530103)
Show SMILES C[C@@H](N)CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C11H24BN3O4/c1-8(13)5-15-6-9(3-2-4-12(18)19)11(14,7-15)10(16)17/h8-9,18-19H,2-7,13-14H2,1H3,(H,16,17)/t8-,9+,11+/m1/s1
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n/an/a 16n/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))
BDBM50509019
PNG
(CHEMBL4459462)
Show SMILES N[C@@H](CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C16H26BN3O4/c18-14(12-5-2-1-3-6-12)10-20-9-13(7-4-8-17(23)24)16(19,11-20)15(21)22/h1-3,5-6,13-14,23-24H,4,7-11,18-19H2,(H,21,22)/t13-,14-,16-/m0/s1
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n/an/a 18n/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))
BDBM50509003
PNG
(CHEMBL4556601)
Show SMILES N[C@]1(CN(C[C@H]2COCCN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C13H26BN3O5/c15-13(12(18)19)9-17(7-11-8-22-5-4-16-11)6-10(13)2-1-3-14(20)21/h10-11,16,20-21H,1-9,15H2,(H,18,19)/t10-,11-,13-/m0/s1
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n/an/a 19n/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))
BDBM50509013
PNG
(CHEMBL4434802)
Show SMILES N[C@]1(CN(C[C@@H]2CCCCN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C14H28BN3O4/c16-14(13(19)20)10-18(9-12-5-1-2-7-17-12)8-11(14)4-3-6-15(21)22/h11-12,17,21-22H,1-10,16H2,(H,19,20)/t11-,12-,14-/m0/s1
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n/an/a 30n/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))
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-2, mitochondrial


(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 67n/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))
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))
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|
Show InChI InChI=1S/C13H23BN4O4/c1-17-6-5-16-11(17)8-18-7-10(3-2-4-14(21)22)13(15,9-18)12(19)20/h5-6,10,21-22H,2-4,7-9,15H2,1H3,(H,19,20)/t10-,13-/m0/s1
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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 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))
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-2, mitochondrial


(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 190n/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))
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))
BDBM290365
PNG
((1S,2S)-1-amino-2-(3-boronopropyl)cyclopentanecarb...)
Show SMILES N[C@]1(CCC[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C9H18BNO4/c11-9(8(12)13)5-1-3-7(9)4-2-6-10(14)15/h7,14-15H,1-6,11H2,(H,12,13)/t7-,9+/m1/s1
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n/an/a 210n/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))
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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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))
BDBM50427910
PNG
(CHEMBL2326096)
Show SMILES N[C@](CCCCB(O)O)(CCN1CC[C@@H](CO)C1)C(O)=O |r|
Show InChI InChI=1S/C13H27BN2O5/c15-13(12(18)19,4-1-2-6-14(20)21)5-8-16-7-3-11(9-16)10-17/h11,17,20-21H,1-10,15H2,(H,18,19)/t11-,13-/m1/s1
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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))
BDBM50427905
PNG
(CHEMBL2326085)
Show SMILES CCN(CC)CC[C@](N)(CCCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C12H27BN2O4/c1-3-15(4-2)10-8-12(14,11(16)17)7-5-6-9-13(18)19/h18-19H,3-10,14H2,1-2H3,(H,16,17)/t12-/m1/s1
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n/an/a 270n/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))
BDBM50427907
PNG
(CHEMBL2326099)
Show SMILES N[C@](CCCCB(O)O)(CCN1Cc2ccccc2C1)C(O)=O |r|
Show InChI InChI=1S/C16H25BN2O4/c18-16(15(20)21,7-3-4-9-17(22)23)8-10-19-11-13-5-1-2-6-14(13)12-19/h1-2,5-6,22-23H,3-4,7-12,18H2,(H,20,21)/t16-/m1/s1
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n/an/a 270n/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))
BDBM50427905
PNG
(CHEMBL2326085)
Show SMILES CCN(CC)CC[C@](N)(CCCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C12H27BN2O4/c1-3-15(4-2)10-8-12(14,11(16)17)7-5-6-9-13(18)19/h18-19H,3-10,14H2,1-2H3,(H,16,17)/t12-/m1/s1
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n/an/a 270n/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))
BDBM290376
PNG
((3R,4S)-3-amino-1-benzyl-4-(3-boronopropyl)pyrroli...)
Show SMILES N[C@]1(CN(Cc2ccccc2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C15H23BN2O4/c17-15(14(19)20)11-18(9-12-5-2-1-3-6-12)10-13(15)7-4-8-16(21)22/h1-3,5-6,13,21-22H,4,7-11,17H2,(H,19,20)/t13-,15-/m0/s1
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n/an/a 300n/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-2, mitochondrial


(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 310n/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-2, mitochondrial


(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 320n/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))
BDBM50509002
PNG
(CHEMBL4590074)
Show SMILES Cc1nn(C)c(C)c1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C15H27BN4O4/c1-10-13(11(2)19(3)18-10)8-20-7-12(5-4-6-16(23)24)15(17,9-20)14(21)22/h12,23-24H,4-9,17H2,1-3H3,(H,21,22)/t12-,15-/m0/s1
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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-2, mitochondrial


(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 340n/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))
BDBM50509008
PNG
(CHEMBL4461151)
Show SMILES N[C@]1(CN(Cc2cncs2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C12H20BN3O4S/c14-12(11(17)18)7-16(6-10-4-15-8-21-10)5-9(12)2-1-3-13(19)20/h4,8-9,19-20H,1-3,5-7,14H2,(H,17,18)/t9-,12-/m0/s1
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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))
BDBM290393
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(pyridin-2- y...)
Show SMILES N[C@]1(CN(Cc2ccccn2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C14H22BN3O4/c16-14(13(19)20)10-18(9-12-5-1-2-7-17-12)8-11(14)4-3-6-15(21)22/h1-2,5,7,11,21-22H,3-4,6,8-10,16H2,(H,19,20)/t11-,14-/m0/s1
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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))
BDBM50509004
PNG
(CHEMBL4546530)
Show SMILES NC1(CCCC1CCCB(O)O)C(O)=O
Show InChI InChI=1S/C9H18BNO4/c11-9(8(12)13)5-1-3-7(9)4-2-6-10(14)15/h7,14-15H,1-6,11H2,(H,12,13)
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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))
BDBM50509004
PNG
(CHEMBL4546530)
Show SMILES NC1(CCCC1CCCB(O)O)C(O)=O
Show InChI InChI=1S/C9H18BNO4/c11-9(8(12)13)5-1-3-7(9)4-2-6-10(14)15/h7,14-15H,1-6,11H2,(H,12,13)
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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-2, mitochondrial


(Homo sapiens (Human))
BDBM50427906
PNG
(CHEMBL2326084)
Show SMILES CCN(CCO)CC[C@](N)(CCCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C12H27BN2O5/c1-2-15(9-10-16)8-6-12(14,11(17)18)5-3-4-7-13(19)20/h16,19-20H,2-10,14H2,1H3,(H,17,18)/t12-/m1/s1
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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))
BDBM290375
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-isobutylpyrro...)
Show SMILES CC(C)CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C12H25BN2O4/c1-9(2)6-15-7-10(4-3-5-13(18)19)12(14,8-15)11(16)17/h9-10,18-19H,3-8,14H2,1-2H3,(H,16,17)/t10-,12-/m0/s1
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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))
BDBM50509007
PNG
(CHEMBL4547509)
Show SMILES Cc1[nH]ncc1CN1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C13H23BN4O4/c1-9-10(5-16-17-9)6-18-7-11(3-2-4-14(21)22)13(15,8-18)12(19)20/h5,11,21-22H,2-4,6-8,15H2,1H3,(H,16,17)(H,19,20)/t11-,13-/m0/s1
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n/an/a 400n/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-2, mitochondrial


(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 420n/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))
BDBM290377
PNG
((3R,4S)-3-amino-4-(3-boronopropyl)-1-(pyridin-3- y...)
Show SMILES N[C@]1(CN(Cc2cccnc2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C14H22BN3O4/c16-14(13(19)20)10-18(8-11-3-2-6-17-7-11)9-12(14)4-1-5-15(21)22/h2-3,6-7,12,21-22H,1,4-5,8-10,16H2,(H,19,20)/t12-,14-/m0/s1
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n/an/a 470n/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-2, mitochondrial


(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 509n/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))
BDBM50427912
PNG
(CHEMBL2326094)
Show SMILES N[C@](CCCCB(O)O)(CCN1CCc2ccccc2C1)C(O)=O |r|
Show InChI InChI=1S/C17H27BN2O4/c19-17(16(21)22,8-3-4-10-18(23)24)9-12-20-11-7-14-5-1-2-6-15(14)13-20/h1-2,5-6,23-24H,3-4,7-13,19H2,(H,21,22)/t17-/m1/s1
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n/an/a 510n/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))
BDBM50427907
PNG
(CHEMBL2326099)
Show SMILES N[C@](CCCCB(O)O)(CCN1Cc2ccccc2C1)C(O)=O |r|
Show InChI InChI=1S/C16H25BN2O4/c18-16(15(20)21,7-3-4-9-17(22)23)8-10-19-11-13-5-1-2-6-14(13)12-19/h1-2,5-6,22-23H,3-4,7-12,18H2,(H,20,21)/t16-/m1/s1
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n/an/a 550n/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))
BDBM50427906
PNG
(CHEMBL2326084)
Show SMILES CCN(CCO)CC[C@](N)(CCCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C12H27BN2O5/c1-2-15(9-10-16)8-6-12(14,11(17)18)5-3-4-7-13(19)20/h16,19-20H,2-10,14H2,1H3,(H,17,18)/t12-/m1/s1
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n/an/a 550n/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))
BDBM50509005
PNG
(CHEMBL4444238)
Show SMILES N[C@]1(CN(Cc2ccncc2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C14H22BN3O4/c16-14(13(19)20)10-18(8-11-3-6-17-7-4-11)9-12(14)2-1-5-15(21)22/h3-4,6-7,12,21-22H,1-2,5,8-10,16H2,(H,19,20)/t12-,14-/m0/s1
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n/an/a 600n/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-2, mitochondrial


(Homo sapiens (Human))
BDBM50427910
PNG
(CHEMBL2326096)
Show SMILES N[C@](CCCCB(O)O)(CCN1CC[C@@H](CO)C1)C(O)=O |r|
Show InChI InChI=1S/C13H27BN2O5/c15-13(12(18)19,4-1-2-6-14(20)21)5-8-16-7-3-11(9-16)10-17/h11,17,20-21H,1-10,15H2,(H,18,19)/t11-,13-/m1/s1
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n/an/a 600n/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))
BDBM50509006
PNG
(CHEMBL4467506)
Show SMILES N[C@]1(CN(Cc2ncccc2F)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C14H21BFN3O4/c16-11-4-2-6-18-12(11)8-19-7-10(3-1-5-15(22)23)14(17,9-19)13(20)21/h2,4,6,10,22-23H,1,3,5,7-9,17H2,(H,20,21)/t10-,14-/m0/s1
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n/an/a 670n/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-2, mitochondrial


(Homo sapiens (Human))
BDBM50427912
PNG
(CHEMBL2326094)
Show SMILES N[C@](CCCCB(O)O)(CCN1CCc2ccccc2C1)C(O)=O |r|
Show InChI InChI=1S/C17H27BN2O4/c19-17(16(21)22,8-3-4-10-18(23)24)9-12-20-11-7-14-5-1-2-6-15(14)13-20/h1-2,5-6,23-24H,3-4,7-13,19H2,(H,21,22)/t17-/m1/s1
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n/an/a 1.09E+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
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