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Compile Data Set for Download or QSAR

Found 622 hits of ic50 data for polymerid = 50004492   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arginase-1


(Homo sapiens (Human))
BDBM50561047
PNG
(CHEMBL4764455)
Show SMILES NCCNS(=O)(=O)N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561040
PNG
(CHEMBL4754637)
Show SMILES N[C@@H](C1CCCC1)C(=O)N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
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 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50595723
PNG
(CHEMBL5193387)
Show SMILES C[C@@H](N)C(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(O)=O |r|
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00395
BindingDB Entry DOI: 10.7270/Q2VD73H4
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50595727
PNG
(CHEMBL5184299)
Show SMILES CC(C)[C@@H](N)C(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(O)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00395
BindingDB Entry DOI: 10.7270/Q2VD73H4
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50595729
PNG
(CHEMBL5176739)
Show SMILES NCC(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(O)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00395
BindingDB Entry DOI: 10.7270/Q2VD73H4
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50595730
PNG
(CHEMBL5171566)
Show SMILES CC(C)C[C@H](N)C(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(O)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00395
BindingDB Entry DOI: 10.7270/Q2VD73H4
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50595731
PNG
(CHEMBL5170454)
Show SMILES CSCC[C@H](N)C(=O)NC[C@@H]1CC[C@@H](CCB(O)O)C[C@]1(N)C(O)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00395
BindingDB Entry DOI: 10.7270/Q2VD73H4
More data for this
Ligand-Target Pair
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))
BDBM50561052
PNG
(CHEMBL4755855)
Show SMILES C[C@@H]1N(C[C@@H](CCB(O)O)C[C@]1(N)C(O)=O)C(=O)CN |r|
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TBA

Assay Description
Inhibition of human Arg1


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561051
PNG
(CHEMBL4749434)
Show SMILES C[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@@](N)([C@@H]1C)C(O)=O |r|
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TBA

Assay Description
Inhibition of human Arg1


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561053
PNG
(CHEMBL4750602)
Show SMILES C[C@@H]1N(C[C@@H](CCB(O)O)C[C@]1(N)C(O)=O)C(=O)[C@@H](N)Cc1c[nH]cn1 |r|
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TBA

Assay Description
Inhibition of human Arg1


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561049
PNG
(CHEMBL4793482)
Show SMILES N[C@@]1(C[C@H](CCB(O)O)CC[C@H]1CN1CCCCC1)C(O)=O |r|
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TBA

Assay Description
Inhibition of human Arg1


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
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))
BDBM50561041
PNG
(CHEMBL4791224)
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 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
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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n/an/a 2n/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))
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))
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))
BDBM50561035
PNG
(CHEMBL4763578)
Show SMILES N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a 3n/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))
BDBM568474
PNG
(US11420984, Example 24)
Show SMILES CN[C@H]1CN[C@@](CCCCB(O)O)(C1)C(O)=O |r,$;;;;N;;;;;;;;;;;;$|
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effects of Examples 1 to 30 on the activity of Human Arginase 1 and Arginase 2 activity were quantified by measuring the formation of ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q243GV
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561039
PNG
(CHEMBL4749355 | US11420984, Example 23)
Show SMILES CN[C@H]1CN[C@](CCCCB(O)O)(C1)C(O)=O |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561035
PNG
(CHEMBL4763578)
Show SMILES N[C@H]1CN[C@@H]([C@@H]1CCCB(O)O)C(O)=O |r|
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
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))
BDBM642313
PNG
((+)-(R)-(5-amino-5-(1-(2-((2- fluorobenzyl)amino)-...)
Show SMILES N[C@H](CCCCB(O)O)c1nnnn1CC(=O)NCc1ccccc1F
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n/an/a 3.40n/an/an/an/an/an/a


TBA



Citation and Details
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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n/an/a 4n/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))
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O |r|
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
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))
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))
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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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))
BDBM642287
PNG
((5-amino-5-(1-(2-(((6-chloropyridin-3- yl)methyl)a...)
Show SMILES NC(CCCCB(O)O)c1nnnn1CC(=O)NCc1ccc(Cl)nc1
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n/an/a 5.5n/an/an/an/an/an/a


TBA



Citation and Details
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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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
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))
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))
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))
BDBM642280
PNG
((6-amino-6-(1-(2-((4- chlorobenzyl)amino)-2-oxoeth...)
Show SMILES NC(CCCCCB(O)O)c1nnnn1CC(=O)NCc1ccc(Cl)cc1
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n/an/a 7.80n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50561037
PNG
(CHEMBL4762611)
Show SMILES NC[C@@]1(CCCB(O)O)CN[C@@H]1C(O)=O |r|
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
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))
BDBM642270
PNG
((5-amino-5-(1-(2-((2,4- difluorobenzyl)amino)-2-ox...)
Show SMILES NC(CCCCB(O)O)c1nnnn1CC(=O)NCc1ccc(F)cc1F
PDB
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n/an/a 9.10n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM642208
PNG
((5-amino-5-(1-(2-((2-fluorobenzyl)amino)- 2-oxoeth...)
Show SMILES NC(CCCCB(O)O)c1nnnn1CC(=O)NCc1ccccc1F
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n/an/a 9.40n/an/an/an/an/an/a


TBA



Citation and Details
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))
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))
BDBM50561038
PNG
(CHEMBL4752307 | US11420984, Example 7)
Show SMILES N[C@H]1CN[C@](CCCCB(O)O)(C1)C(O)=O |r|
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US Patent
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The inhibitory effects of Examples 1 to 30 on the activity of Human Arginase 1 and Arginase 2 activity were quantified by measuring the formation of ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q243GV
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50561038
PNG
(CHEMBL4752307 | US11420984, Example 7)
Show SMILES N[C@H]1CN[C@](CCCCB(O)O)(C1)C(O)=O |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by TOGA assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
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))
BDBM642315
PNG
((+)-(R)-(5-amino-5-(1-(2-oxo-2- (phenethylamino)et...)
Show SMILES N[C@H](CCCCB(O)O)c1nnnn1CC(=O)NCCc1ccccc1
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n/an/a 10.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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