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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50012858   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O |r|
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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8.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

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


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


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


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


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

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


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


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

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


(Homo sapiens (Human))
BDBM50230418
PNG
(CHEMBL260629 | N(gamma)-hydroxy-L-arginine | N-OME...)
Show SMILES NC(NO)=NCCC[C@H]([NH3+])C([O-])=O |r,w:4.4|
Show InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 at pH 7.5


Citation and Details

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


(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 Arg2


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))
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))
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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n/an/a 1n/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))
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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n/an/a 1n/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))
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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n/an/a 1n/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))
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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n/an/a 1n/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))
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))
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))
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))
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-2, mitochondrial


(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 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 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))
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-2, mitochondrial


(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 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 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))
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


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))
BDBM50511658
PNG
(Cb-1158 | INCB-001158 | Incb 001158 | Incb001158 |...)
Show SMILES C[C@H](N)C(=O)N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C11H22BN3O5/c1-7(13)9(16)15-5-8(3-2-4-12(19)20)11(14,6-15)10(17)18/h7-8,19-20H,2-6,13-14H2,1H3,(H,17,18)/t7-,8-,11-/m0/s1
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n/an/a 86n/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-2, mitochondrial


(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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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2


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))
BDBM50561048
PNG
(CHEMBL4796018)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)C(CO)CCl |r|
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n/an/a<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))
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<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))
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<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))
BDBM50538525
PNG
(CHEMBL4647364)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)C(=O)[C@H](C)N |r|
Show InChI InChI=1S/C14H26BN3O5/c1-8(16)12(19)18-6-9-5-14(17,13(20)21)11(10(9)7-18)3-2-4-15(22)23/h8-11,22-23H,2-7,16-17H2,1H3,(H,20,21)/t8-,9-,10+,11-,14-/m0/s1
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n/an/a 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))
BDBM50538525
PNG
(CHEMBL4647364)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@H](CCCB(O)O)[C@@](N)(C2)C(O)=O)C(=O)[C@H](C)N |r|
Show InChI InChI=1S/C14H26BN3O5/c1-8(16)12(19)18-6-9-5-14(17,13(20)21)11(10(9)7-18)3-2-4-15(22)23/h8-11,22-23H,2-7,16-17H2,1H3,(H,20,21)/t8-,9-,10+,11-,14-/m0/s1
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n/an/a 108n/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-2, mitochondrial


(Homo sapiens (Human))
BDBM50511658
PNG
(Cb-1158 | INCB-001158 | Incb 001158 | Incb001158 |...)
Show SMILES C[C@H](N)C(=O)N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r|
Show InChI InChI=1S/C11H22BN3O5/c1-7(13)9(16)15-5-8(3-2-4-12(19)20)11(14,6-15)10(17)18/h7-8,19-20H,2-6,13-14H2,1H3,(H,17,18)/t7-,8-,11-/m0/s1
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n/an/a 296n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2


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))
BDBM50561043
PNG
(CHEMBL4746323 | US11420984, Example 9)
Show SMILES CC(C)[C@H](N)C(=O)N[C@H]1CN[C@](CCCCB(O)O)(C1)C(O)=O |r|
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n/an/a 320n/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-2, mitochondrial


(Homo sapiens (Human))
BDBM50561043
PNG
(CHEMBL4746323 | US11420984, Example 9)
Show SMILES CC(C)[C@H](N)C(=O)N[C@H]1CN[C@](CCCCB(O)O)(C1)C(O)=O |r|
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n/an/a 330n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 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))
BDBM50561044
PNG
(CHEMBL4743587 | US11420984, Example 20)
Show SMILES CC(C)(O)[C@H](N)C(=O)N[C@H]1CN[C@](CCCCB(O)O)(C1)C(O)=O |r|
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n/an/a 340n/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-2, mitochondrial


(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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n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2


Citation and Details

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


(Homo sapiens (Human))
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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n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2


Citation and Details

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


(Homo sapiens (Human))
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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n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2


Citation and Details

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


(Homo sapiens (Human))
BDBM50561044
PNG
(CHEMBL4743587 | US11420984, Example 20)
Show SMILES CC(C)(O)[C@H](N)C(=O)N[C@H]1CN[C@](CCCCB(O)O)(C1)C(O)=O |r|
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n/an/a 520n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 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


(Rattus norvegicus)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O |r|
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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PubMed
n/an/a 800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat Arg1 at pH 7.4


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


(Rattus norvegicus)
BDBM50008099
PNG
(CHEMBL1234777)
Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r|
Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
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n/an/a 800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat Arg1 at pH 7.4


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50561050
PNG
(CHEMBL4748105)
Show SMILES CC1(O)CCC(CCB(O)O)CC1(N)C(O)=O
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n/an/a<1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2


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))
BDBM50561050
PNG
(CHEMBL4748105)
Show SMILES CC1(O)CCC(CCB(O)O)CC1(N)C(O)=O
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n/an/a<1.00E+3n/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))
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 4.30E+3n/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


(Rattus norvegicus)
BDBM50561034
PNG
(CHEMBL4244287)
Show SMILES N[C@@H](CSCCB(O)O)C(O)=O |r|
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat Arg1 at pH 7.4


Citation and Details

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


(Homo sapiens (Human))
BDBM50561050
PNG
(CHEMBL4748105)
Show SMILES CC1(O)CCC(CCB(O)O)CC1(N)C(O)=O
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg2 by cell based 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))
BDBM50561050
PNG
(CHEMBL4748105)
Show SMILES CC1(O)CCC(CCB(O)O)CC1(N)C(O)=O
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Arg1 by cell based 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


(Rattus norvegicus)
BDBM50230418
PNG
(CHEMBL260629 | N(gamma)-hydroxy-L-arginine | N-OME...)
Show SMILES NC(NO)=NCCC[C@H]([NH3+])C([O-])=O |r,w:4.4|
Show InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat Arg1 at pH 7.4


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))
BDBM50008099
PNG
(CHEMBL1234777)
Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r|
Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
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n/an/an/a 517n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human Arg1 at pH 8.5


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115658
BindingDB Entry DOI: 10.7270/Q2WS8XZC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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