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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'lyons' and Initial = 'tw'   
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))
BDBM50561042
PNG
(CHEMBL4748950)
Show SMILES CC(C)(C)[C@H](N)C(=O)N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579614
PNG
(CHEMBL4871970)
Show SMILES [H][C@]12CN[C@H](C(O)=O)[C@@]1(CCCB(O)O)CCN2 |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50577469
PNG
(CHEMBL4850213)
Show SMILES CC(C)[C@H](N)C(=O)N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579610
PNG
(CHEMBL4873520)
Show SMILES [H][C@]12CN[C@](CCN1)([C@H]2CCCB(O)O)C(O)=O |r,THB:9:8:7.6.5:3.2|
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561035
PNG
(CHEMBL4763578)
Show SMILES N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579616
PNG
(CHEMBL4845730)
Show SMILES [H][C@]12CN[C@H](C(=O)OC)[C@@]1(CCCB(O)O)CCCN2 |r|
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579611
PNG
(CHEMBL4871097)
Show SMILES [H][C@]12C[C@](CCN1)([C@H]2CCCB(O)O)C(O)=O |r,THB:8:7:2:4.5.6|
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538536
PNG
(CHEMBL4639893)
Show SMILES [H][C@]12C[C@H](N)C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C12H23BN2O4/c14-8-4-7-6-12(15,11(16)17)10(9(7)5-8)2-1-3-13(18)19/h7-10,18-19H,1-6,14-15H2,(H,16,17)/t7-,8+,9-,10+,12+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50561036
PNG
(CHEMBL4778978)
Show SMILES OB(O)CCC[C@@H]1[C@@H](O)CN[C@@H]1C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579615
PNG
(CHEMBL4865209)
Show SMILES [H][C@]12CN[C@H](C(O)=O)[C@@]1(CCCB(O)O)COC2 |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50577476
PNG
(CHEMBL4852406)
Show SMILES NC[C@@]1(CCCB(O)O)CCN[C@@H]1C(O)=O |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50577471
PNG
(CHEMBL4864502)
Show SMILES CN[C@@H](C(C)C)C(=O)N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538548
PNG
(CHEMBL4640681)
Show SMILES [H][C@]12C[C@H](NC)[C@H](F)[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C13H24BFN2O4/c1-17-9-5-7-6-13(16,12(18)19)8(10(7)11(9)15)3-2-4-14(20)21/h7-11,17,20-21H,2-6,16H2,1H3,(H,18,19)/t7-,8+,9+,10-,11+,13+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50538547
PNG
(CHEMBL4648504)
Show SMILES [H][C@]12C[C@@H](NC)[C@H](F)[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C13H24BFN2O4/c1-17-9-5-7-6-13(16,12(18)19)8(10(7)11(9)15)3-2-4-14(20)21/h7-11,17,20-21H,2-6,16H2,1H3,(H,18,19)/t7-,8+,9-,10-,11+,13+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50577477
PNG
(CHEMBL4868283)
Show SMILES C[C@@H]1C[C@@H](CCCB(O)O)[C@H](N1)C(O)=O |r|
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50577478
PNG
(CHEMBL4872801)
Show SMILES OC[C@@H]1C[C@@H](CCCB(O)O)[C@H](N1)C(O)=O |r|
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50577468
PNG
(CHEMBL4875641)
Show SMILES C[C@H](N)C(=O)N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538522
PNG
(CHEMBL4633222)
Show SMILES N[C@]1(C[C@]2(CCCN2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C12H23BN2O4/c14-12(10(16)17)8-11(4-2-6-15-11)7-9(12)3-1-5-13(18)19/h9,15,18-19H,1-8,14H2,(H,16,17)/t9-,11-,12-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50538523
PNG
(CHEMBL4646013)
Show SMILES N[C@]1(C[C@]2(CCNC2)C[C@@H]1CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C12H23BN2O4/c14-12(10(16)17)7-11(3-5-15-8-11)6-9(12)2-1-4-13(18)19/h9,15,18-19H,1-8,14H2,(H,16,17)/t9-,11-,12-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50538541
PNG
(CHEMBL4633123)
Show SMILES [H][C@@]12C[C@](N)([C@@H](CCCB(O)O)[C@]1([H])C[C@H](O)[C@H]2F)C(O)=O |r|
Show InChI InChI=1S/C12H21BFNO5/c14-10-7-5-12(15,11(17)18)8(2-1-3-13(19)20)6(7)4-9(10)16/h6-10,16,19-20H,1-5,15H2,(H,17,18)/t6-,7-,8+,9+,10+,12+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50538543
PNG
(CHEMBL4632493)
Show SMILES [H][C@@]12C[C@](N)([C@@H](CCCB(O)O)[C@]1([H])C[C@H](NC)[C@H]2F)C(O)=O |r|
Show InChI InChI=1S/C13H24BFN2O4/c1-17-10-5-7-8(11(10)15)6-13(16,12(18)19)9(7)3-2-4-14(20)21/h7-11,17,20-21H,2-6,16H2,1H3,(H,18,19)/t7-,8-,9+,10+,11+,13+/m1/s1
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Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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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Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50577458
PNG
(CHEMBL4858437)
Show SMILES OB(O)CCC[C@@H]1CCN[C@@H]1C(O)=O |r|
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50577458
PNG
(CHEMBL4858437)
Show SMILES OB(O)CCC[C@@H]1CCN[C@@H]1C(O)=O |r|
PDB
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TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM130381
PNG
((R)-2-amino-6-borono-2-[1-(3,4-dichlorobenzyl)pipe...)
Show SMILES N[C@](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)/t18-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50577475
PNG
(CHEMBL4855923)
Show SMILES OC[C@@]1(CCCB(O)O)CCN[C@@H]1C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538538
PNG
(CHEMBL4647529)
Show SMILES [H][C@]12C[C@@H](C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)NC |r|
Show InChI InChI=1S/C13H25BN2O4/c1-16-9-5-8-7-13(15,12(17)18)11(10(8)6-9)3-2-4-14(19)20/h8-11,16,19-20H,2-7,15H2,1H3,(H,17,18)/t8-,9+,10-,11+,13+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50577464
PNG
(CHEMBL4863489)
Show SMILES CN[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538520
PNG
(CHEMBL4648095)
Show SMILES [H][C@@]12C[C@H](CCCB(O)O)[C@](N)(C(O)=O)[C@]1([H])CCN2 |r|
Show InChI InChI=1S/C11H21BN2O4/c13-11(10(15)16)7(2-1-4-12(17)18)6-9-8(11)3-5-14-9/h7-9,14,17-18H,1-6,13H2,(H,15,16)/t7-,8+,9+,11+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50538544
PNG
(CHEMBL4632821)
Show SMILES [H][C@@]12C[C@](N)([C@@H](CCCB(O)O)[C@]1([H])C[C@@H](NC)[C@H]2F)C(O)=O |r|
Show InChI InChI=1S/C13H24BFN2O4/c1-17-10-5-7-8(11(10)15)6-13(16,12(18)19)9(7)3-2-4-14(20)21/h7-11,17,20-21H,2-6,16H2,1H3,(H,18,19)/t7-,8-,9+,10-,11+,13+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50579613
PNG
(CHEMBL4850423)
Show SMILES [H][C@]12CN[C@H](C(O)=O)[C@@]1(CCCB(O)O)CS2 |r|
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538518
PNG
(CHEMBL4639162)
Show SMILES [H][C@]12CNC[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C11H21BN2O4/c13-11(10(15)16)4-7-5-14-6-8(7)9(11)2-1-3-12(17)18/h7-9,14,17-18H,1-6,13H2,(H,15,16)/t7-,8+,9-,11-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50577472
PNG
(CHEMBL4845882)
Show SMILES CC(C)[C@@](C)(N)C(=O)N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50577479
PNG
(CHEMBL4862990)
Show SMILES NC[C@@H]1C[C@@H](CCCB(O)O)[C@H](N1)C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538540
PNG
(CHEMBL4638209)
Show SMILES [H][C@]12C[C@@H](C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)NC(=O)[C@@H](N)C(C)C |r|
Show InChI InChI=1S/C17H32BN3O5/c1-9(2)14(19)15(22)21-11-6-10-8-17(20,16(23)24)13(12(10)7-11)4-3-5-18(25)26/h9-14,25-26H,3-8,19-20H2,1-2H3,(H,21,22)(H,23,24)/t10-,11+,12-,13+,14+,17+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of arginase1 in human cancer patient serum


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


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


(Homo sapiens (Human))
BDBM50577474
PNG
(CHEMBL4876150)
Show SMILES C[C@@]1(CCCB(O)O)CCN[C@@H]1C(O)=O |r|
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538537
PNG
(CHEMBL4639122)
Show SMILES [H][C@]12C[C@H](C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)NC |r|
Show InChI InChI=1S/C13H25BN2O4/c1-16-9-5-8-7-13(15,12(17)18)11(10(8)6-9)3-2-4-14(19)20/h8-11,16,19-20H,2-7,15H2,1H3,(H,17,18)/t8-,9-,10-,11+,13+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50577470
PNG
(CHEMBL4856276)
Show SMILES CC(C)[C@@H](N)C(=O)N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538545
PNG
(CHEMBL4639443)
Show SMILES [H][C@]12C[C@@H](O)[C@H](F)[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C12H21BFNO5/c14-10-8(16)4-6-5-12(15,11(17)18)7(9(6)10)2-1-3-13(19)20/h6-10,16,19-20H,1-5,15H2,(H,17,18)/t6-,7+,8-,9-,10+,12+/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50538539
PNG
(CHEMBL4636066)
Show SMILES [H][C@]12C[C@@H](C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)NC(=O)[C@H](C)N |r|
Show InChI InChI=1S/C15H28BN3O5/c1-8(17)13(20)19-10-5-9-7-15(18,14(21)22)12(11(9)6-10)3-2-4-16(23)24/h8-12,23-24H,2-7,17-18H2,1H3,(H,19,20)(H,21,22)/t8-,9+,10-,11+,12-,15-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of arginase1 in human cancer patient serum


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


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


(Homo sapiens (Human))
BDBM50538535
PNG
(CHEMBL4636445)
Show SMILES [H][C@]12C[C@@H](N)C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C12H23BN2O4/c14-8-4-7-6-12(15,11(16)17)10(9(7)5-8)2-1-3-13(18)19/h7-10,18-19H,1-6,14-15H2,(H,16,17)/t7-,8-,9-,10+,12+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50538542
PNG
(CHEMBL4632863)
Show SMILES [H][C@@]12C[C@](N)([C@@H](CCCB(O)O)[C@]1([H])C[C@@H](O)[C@H]2F)C(O)=O |r|
Show InChI InChI=1S/C12H21BFNO5/c14-10-7-5-12(15,11(17)18)8(2-1-3-13(19)20)6(7)4-9(10)16/h6-10,16,19-20H,1-5,15H2,(H,17,18)/t6-,7-,8+,9-,10+,12+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50579609
PNG
(CHEMBL4872874)
Show SMILES OB(O)CCC[C@]12CCN[C@]1(CNC2)C(O)=O |r|
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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50577480
PNG
(CHEMBL4862982)
Show SMILES CO[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538526
PNG
(CHEMBL4646697)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)C(=O)[C@@H](N)C(C)C |r|
Show InChI InChI=1S/C16H30BN3O5/c1-9(2)13(18)14(21)20-7-10-6-16(19,15(22)23)12(11(10)8-20)4-3-5-17(24)25/h9-13,24-25H,3-8,18-19H2,1-2H3,(H,22,23)/t10-,11+,12-,13-,16-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50577465
PNG
(CHEMBL4868849)
Show SMILES CN(C)[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579618
PNG
(CHEMBL4871090)
Show SMILES [H][C@@]12CC[C@]1([H])[C@@](C)(CCCB(O)O)[C@H](N2)C(O)=O |r|
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n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50577473
PNG
(CHEMBL4871410)
Show SMILES OB(O)CCC[C@@H]1CCN[C@]1(CCN1CCCCC1)C(O)=O |r|
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
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UniChem
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n/an/a 70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00195
BindingDB Entry DOI: 10.7270/Q2542SD6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50538529
PNG
(CHEMBL4637242)
Show SMILES [H][C@@]12CN[C@@H](C)[C@]1([H])C[C@](N)([C@H]2CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C12H23BN2O4/c1-7-8-5-12(14,11(16)17)10(9(8)6-15-7)3-2-4-13(18)19/h7-10,15,18-19H,2-6,14H2,1H3,(H,16,17)/t7-,8-,9+,10-,12-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50538528
PNG
(CHEMBL4639175)
Show SMILES [H][C@]12CN(C)C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O |r|
Show InChI InChI=1S/C12H23BN2O4/c1-15-6-8-5-12(14,11(16)17)10(9(8)7-15)3-2-4-13(18)19/h8-10,18-19H,2-7,14H2,1H3,(H,16,17)/t8-,9+,10-,12-/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
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UniChem
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n/an/a 83n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


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


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


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