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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50014736   
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))
BDBM50579614
PNG
(CHEMBL4871970)
Show SMILES [H][C@]12CN[C@H](C(O)=O)[C@@]1(CCCB(O)O)CCN2 |r|
PDB
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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))
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))
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))
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))
BDBM50577458
PNG
(CHEMBL4858437)
Show SMILES OB(O)CCC[C@@H]1CCN[C@@H]1C(O)=O |r|
PDB
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n/an/a 16n/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))
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))
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))
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))
BDBM50579612
PNG
(CHEMBL4847500)
Show SMILES [H][C@]12CN[C@H](C(O)=O)[C@@]1(CCCB(O)O)CN2 |r|
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n/an/a 104n/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))
BDBM50579608
PNG
(CHEMBL4849969)
Show SMILES OB(O)CCC[C@@]12CC[C@@]1(NCC2)C(O)=O |r|
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n/an/a 370n/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))
BDBM50579617
PNG
(CHEMBL4863411)
Show SMILES [H][C@]12C[C@@]1([H])[C@@](C)(CCCB(O)O)[C@H](N2)C(O)=O |r|
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n/an/a 5.74E+3n/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))
BDBM50579607
PNG
(CHEMBL4865167)
Show SMILES NC[C@H]1[C@@]2(CCCB(O)O)CCN[C@@]12C(O)=O |r|
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n/an/a 8.78E+3n/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))
BDBM50579606
PNG
(CHEMBL4851004)
Show SMILES OB(O)CCC[C@@]12C[C@@]1(NCC2)C(O)=O |r|
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n/an/a>1.00E+4n/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