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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'ramsey' and Initial = 'c'   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50343725
PNG
((S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1
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PubMed
0.450n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 V617F mutant (unknown origin) using L-Ahx-IPTSPITTTYFFFKKK-COOH as substrate in presence of ATP


Bioorg Med Chem 24: 4647-4651 (2016)


Article DOI: 10.1016/j.bmc.2016.07.069
BindingDB Entry DOI: 10.7270/Q2D79FW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM14699
PNG
(1,3-diethyl 2-({8-thiatricyclo[7.4.0.0^{2,7}]tride...)
Show SMILES CCOC(=O)C(C=Nc1ccc2sc3ccccc3c2c1)C(=O)OCC |w:7.7|
Show InChI InChI=1S/C20H19NO4S/c1-3-24-19(22)16(20(23)25-4-2)12-21-13-9-10-18-15(11-13)14-7-5-6-8-17(14)26-18/h5-12,16H,3-4H2,1-2H3
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20 -43.9 160n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM14710
PNG
(ChemBridge compound no. 2 | N-(4-Bromo-2-methylphe...)
Show SMILES Cc1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H14BrNO/c1-12-10-16(19)8-9-17(12)20-18(21)15-7-6-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H,20,21)
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20 -43.9 180n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM14711
PNG
(Asinex compound no. 6 | N-(3,5-Dichlorophenyl)-2-m...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H10Cl2N2O3/c1-8-12(3-2-4-13(8)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)
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30 -42.9 230n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM14712
PNG
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)
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30n/a 260n/an/an/an/an/an/a



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM14701
PNG
(2-Cyano-3-(9-ethyl-9H-carbazol-3-ylamino)acrylic A...)
Show SMILES CCOC(=O)C(C=Nc1ccc2n(CC)c3ccccc3c2c1)C#N |w:7.7|
Show InChI InChI=1S/C20H19N3O2/c1-3-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)22-13-14(12-21)20(24)25-4-2/h5-11,13-14H,3-4H2,1-2H3
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50 -41.7 440n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM14708
PNG
(Ethyl 3-(biphenyl-3-ylamino)-2-cyanoacrylate | bip...)
Show SMILES CCOC(=O)C(C=Nc1cccc(c1)-c1ccccc1)C#N |w:7.7|
Show InChI InChI=1S/C18H16N2O2/c1-2-22-18(21)16(12-19)13-20-17-10-6-9-15(11-17)14-7-4-3-5-8-14/h3-11,13,16H,2H2,1H3
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2.45E+3 -32.0 2.13E+4n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM14702
PNG
(1,3-diethyl 2-[(1H-indazol-5-ylamino)methylidene]p...)
Show SMILES CCOC(=O)C(C=Nc1ccc2n[nH]cc2c1)C(=O)OCC |w:7.7|
Show InChI InChI=1S/C15H17N3O4/c1-3-21-14(19)12(15(20)22-4-2)9-16-11-5-6-13-10(7-11)8-17-18-13/h5-9,12H,3-4H2,1-2H3,(H,17,18)
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3.20E+3 -31.4 2.78E+4n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM14699
PNG
(1,3-diethyl 2-({8-thiatricyclo[7.4.0.0^{2,7}]tride...)
Show SMILES CCOC(=O)C(C=Nc1ccc2sc3ccccc3c2c1)C(=O)OCC |w:7.7|
Show InChI InChI=1S/C20H19NO4S/c1-3-24-19(22)16(20(23)25-4-2)12-21-13-9-10-18-15(11-13)14-7-5-6-8-17(14)26-18/h5-12,16H,3-4H2,1-2H3
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3.63E+3n/a 2.96E+4n/an/an/an/an/an/a



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM14703
PNG
(1,3-diethyl 2-{[(4-methylphenyl)amino]methylidene}...)
Show SMILES CCOC(=O)C(C=Nc1ccc(C)cc1)C(=O)OCC |w:7.7|
Show InChI InChI=1S/C15H19NO4/c1-4-19-14(17)13(15(18)20-5-2)10-16-12-8-6-11(3)7-9-12/h6-10,13H,4-5H2,1-3H3
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4.60E+3 -30.5 4.00E+4n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM14709
PNG
(1,3-diethyl 2-{[(3-phenylphenyl)amino]methylidene}...)
Show SMILES CCOC(=O)C(C=Nc1cccc(c1)-c1ccccc1)C(=O)OCC |w:7.7|
Show InChI InChI=1S/C20H21NO4/c1-3-24-19(22)18(20(23)25-4-2)14-21-17-12-8-11-16(13-17)15-9-6-5-7-10-15/h5-14,18H,3-4H2,1-2H3
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1.00E+4 -28.5 8.67E+4n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM14709
PNG
(1,3-diethyl 2-{[(3-phenylphenyl)amino]methylidene}...)
Show SMILES CCOC(=O)C(C=Nc1cccc(c1)-c1ccccc1)C(=O)OCC |w:7.7|
Show InChI InChI=1S/C20H21NO4/c1-3-24-19(22)18(20(23)25-4-2)14-21-17-12-8-11-16(13-17)15-9-6-5-7-10-15/h5-14,18H,3-4H2,1-2H3
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1.28E+4n/a 1.04E+5n/an/an/an/an/an/a



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM14702
PNG
(1,3-diethyl 2-[(1H-indazol-5-ylamino)methylidene]p...)
Show SMILES CCOC(=O)C(C=Nc1ccc2n[nH]cc2c1)C(=O)OCC |w:7.7|
Show InChI InChI=1S/C15H17N3O4/c1-3-21-14(19)12(15(20)22-4-2)9-16-11-5-6-13-10(7-11)8-17-18-13/h5-9,12H,3-4H2,1-2H3,(H,17,18)
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1.51E+4n/a 1.23E+5n/an/an/an/an/an/a



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM14703
PNG
(1,3-diethyl 2-{[(4-methylphenyl)amino]methylidene}...)
Show SMILES CCOC(=O)C(C=Nc1ccc(C)cc1)C(=O)OCC |w:7.7|
Show InChI InChI=1S/C15H19NO4/c1-4-19-14(17)13(15(18)20-5-2)10-16-12-8-6-11(3)7-9-12/h6-10,13H,4-5H2,1-3H3
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1.79E+4n/a 1.46E+5n/an/an/an/an/an/a



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM14712
PNG
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)
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2.34E+4 -26.4 1.90E+5n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM14708
PNG
(Ethyl 3-(biphenyl-3-ylamino)-2-cyanoacrylate | bip...)
Show SMILES CCOC(=O)C(C=Nc1cccc(c1)-c1ccccc1)C#N |w:7.7|
Show InChI InChI=1S/C18H16N2O2/c1-2-22-18(21)16(12-19)13-20-17-10-6-9-15(11-17)14-7-4-3-5-8-14/h3-11,13,16H,2H2,1H3
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2.70E+4n/a 2.20E+5n/an/an/an/an/an/a



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM14704
PNG
(1,3-diethyl 2-{[(2-methylphenyl)amino]methylidene}...)
Show SMILES CCOC(=O)C(C=Nc1ccccc1C)C(=O)OCC |w:7.7|
Show InChI InChI=1S/C15H19NO4/c1-4-19-14(17)12(15(18)20-5-2)10-16-13-9-7-6-8-11(13)3/h6-10,12H,4-5H2,1-3H3
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3.59E+4n/a 2.92E+5n/an/an/an/an/an/a



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM14704
PNG
(1,3-diethyl 2-{[(2-methylphenyl)amino]methylidene}...)
Show SMILES CCOC(=O)C(C=Nc1ccccc1C)C(=O)OCC |w:7.7|
Show InChI InChI=1S/C15H19NO4/c1-4-19-14(17)12(15(18)20-5-2)10-16-13-9-7-6-8-11(13)3/h6-10,12H,4-5H2,1-3H3
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3.97E+4 -25.1 3.46E+5n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM14705
PNG
(1,3-diethyl 2-[(1H-1,3-benzodiazol-5-ylamino)methy...)
Show SMILES CCOC(=O)C(C=Nc1ccc2nc[nH]c2c1)C(=O)OCC |w:7.7|
Show InChI InChI=1S/C15H17N3O4/c1-3-21-14(19)11(15(20)22-4-2)8-16-10-5-6-12-13(7-10)18-9-17-12/h5-9,11H,3-4H2,1-2H3,(H,17,18)
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4.02E+4 -25.1 3.49E+5n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM14710
PNG
(ChemBridge compound no. 2 | N-(4-Bromo-2-methylphe...)
Show SMILES Cc1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H14BrNO/c1-12-10-16(19)8-9-17(12)20-18(21)15-7-6-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H,20,21)
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PubMed
5.09E+4n/a 4.15E+5n/an/an/an/an/an/a



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM14701
PNG
(2-Cyano-3-(9-ethyl-9H-carbazol-3-ylamino)acrylic A...)
Show SMILES CCOC(=O)C(C=Nc1ccc2n(CC)c3ccccc3c2c1)C#N |w:7.7|
Show InChI InChI=1S/C20H19N3O2/c1-3-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)22-13-14(12-21)20(24)25-4-2/h5-11,13-14H,3-4H2,1-2H3
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PubMed
6.04E+4n/a 4.91E+5n/an/an/an/an/an/a



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM14711
PNG
(Asinex compound no. 6 | N-(3,5-Dichlorophenyl)-2-m...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H10Cl2N2O3/c1-8-12(3-2-4-13(8)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)
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PubMed
6.44E+4n/a 5.24E+5n/an/an/an/an/an/a



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553165
PNG
(CHEMBL4754674)
Show SMILES Oc1ccc(CNc2ccc(O)c(O)c2)cc1O
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8.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Cornish-Bowden plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553165
PNG
(CHEMBL4754674)
Show SMILES Oc1ccc(CNc2ccc(O)c(O)c2)cc1O
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8.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553165
PNG
(CHEMBL4754674)
Show SMILES Oc1ccc(CNc2ccc(O)c(O)c2)cc1O
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8.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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1.36E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Dixon plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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1.36E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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1.36E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Cornish-Bowden plot analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
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 2.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a 6.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 1.68E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ARG1 expressed in CHO-K1 cells assessed as reduction in urea level incubated for 24 hrs by colorimetric assay


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50127207
PNG
(CHEMBL3628691)
Show SMILES COc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H15ClN6O4/c1-26-14-7-11(8-18-16-19-21-22-20-16)6-13(17)15(14)27-9-10-2-4-12(5-3-10)23(24)25/h2-7H,8-9H2,1H3,(H2,18,19,20,21,22)
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n/an/a 2.57E+4n/an/an/an/an/an/a



University of Franche-Comt£

Curated by ChEMBL


Assay Description
Inhibition of STAT3 (unknown origin) expressed in Oncostatin M induced human HeLa cells incubated for 1 hr by luciferase reporter gene assay


Eur J Med Chem 103: 163-74 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.054
BindingDB Entry DOI: 10.7270/Q2F191J0
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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n/an/a 4.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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n/an/a 6.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553165
PNG
(CHEMBL4754674)
Show SMILES Oc1ccc(CNc2ccc(O)c(O)c2)cc1O
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n/an/a 7.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553164
PNG
(CHEMBL4741701)
Show SMILES Oc1cccc(NCc2ccc(O)c(O)c2)c1
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n/an/a 8.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50553165
PNG
(CHEMBL4754674)
Show SMILES Oc1ccc(CNc2ccc(O)c(O)c2)cc1O
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n/an/a 8.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553157
PNG
(CHEMBL440107)
Show SMILES OCc1ccc(O)c(O)c1
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n/an/a 1.06E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553177
PNG
(CHEMBL4742032)
Show SMILES OC(=O)c1cc(O)cc(NCc2ccc(O)c(O)c2)c1
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n/an/a 1.08E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM26188
PNG
(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
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n/an/a 1.23E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/a 1.28E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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n/an/a 1.31E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553162
PNG
(CHEMBL4798237)
Show SMILES Oc1cc(O)cc(NCc2ccc(O)c(O)c2)c1
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n/an/a 1.41E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553171
PNG
(CHEMBL4794440)
Show SMILES Oc1ccc(CNCc2ccccc2)cc1O
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n/an/a 1.45E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553161
PNG
(CHEMBL4757794)
Show SMILES COc1ccc(NCc2ccc(O)c(O)c2)cc1
PDB
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n/an/a 1.54E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553158
PNG
(CHEMBL2009732)
Show SMILES NCc1ccc(O)c(O)c1
PDB
MMDB

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PC cid
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UniChem
Article
PubMed
n/an/a 1.64E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553160
PNG
(CHEMBL4791480)
Show SMILES Oc1ccc(CNc2ccccc2)cc1O
PDB
MMDB

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UniChem
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n/an/a 1.64E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553159
PNG
(CHEMBL4764741)
Show SMILES COc1cccc(NCc2ccc(O)c(O)c2)c1
PDB
MMDB

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PubMed
n/an/a 1.85E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553178
PNG
(CHEMBL4756480)
Show SMILES OC(=O)c1cc(NCc2ccc(O)c(O)c2)ccc1O
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 1.87E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50553176
PNG
(CHEMBL4597903)
Show SMILES Oc1ccc(CNCc2ccc3OCOc3c2)cc1O
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
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UniChem
Article
PubMed
n/an/a 2.26E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis


Citation and Details

Article DOI: 10.1039/d0md00011f
BindingDB Entry DOI: 10.7270/Q261140V
More data for this
Ligand-Target Pair
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