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PubMed code 26507431

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129797
PNG
(CHEMBL3629072)
Show SMILES Fc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H20F2N4S4/c27-17-9-13-19(14-10-17)29-25(33)31-21-5-1-3-7-23(21)35-36-24-8-4-2-6-22(24)32-26(34)30-20-15-11-18(28)12-16-20/h1-16H,(H2,29,31,33)(H2,30,32,34)
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n/an/a 400n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129738
PNG
(CHEMBL3629545)
Show SMILES Fc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1F
Show InChI InChI=1S/C26H20F2N4S4/c27-17-9-1-3-11-19(17)29-25(33)31-21-13-5-7-15-23(21)35-36-24-16-8-6-14-22(24)32-26(34)30-20-12-4-2-10-18(20)28/h1-16H,(H2,29,31,33)(H2,30,32,34)
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Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129802
PNG
(CHEMBL3629548)
Show SMILES Cc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1C
Show InChI InChI=1S/C28H26N4S4/c1-19-11-3-5-13-21(19)29-27(33)31-23-15-7-9-17-25(23)35-36-26-18-10-8-16-24(26)32-28(34)30-22-14-6-4-12-20(22)2/h3-18H,1-2H3,(H2,29,31,33)(H2,30,32,34)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129798
PNG
(CHEMBL3629071)
Show SMILES Cc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C28H26N4S4/c1-19-11-15-21(16-12-19)29-27(33)31-23-7-3-5-9-25(23)35-36-26-10-6-4-8-24(26)32-28(34)30-22-17-13-20(2)14-18-22/h3-18H,1-2H3,(H2,29,31,33)(H2,30,32,34)
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Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129744
PNG
(CHEMBL3629078)
Show SMILES Fc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(F)c2)c1
Show InChI InChI=1S/C26H20F2N4S4/c27-17-7-5-9-19(15-17)29-25(33)31-21-11-1-3-13-23(21)35-36-24-14-4-2-12-22(24)32-26(34)30-20-10-6-8-18(28)16-20/h1-16H,(H2,29,31,33)(H2,30,32,34)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129746
PNG
(CHEMBL3629076)
Show SMILES FC(F)(F)c1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H20F6N4S4/c29-27(30,31)17-9-13-19(14-10-17)35-25(39)37-21-5-1-3-7-23(21)41-42-24-8-4-2-6-22(24)38-26(40)36-20-15-11-18(12-16-20)28(32,33)34/h1-16H,(H2,35,37,39)(H2,36,38,40)
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Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129801
PNG
(CHEMBL3629549)
Show SMILES Clc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H20Cl2N4S4/c27-17-9-13-19(14-10-17)29-25(33)31-21-5-1-3-7-23(21)35-36-24-8-4-2-6-22(24)32-26(34)30-20-15-11-18(28)12-16-20/h1-16H,(H2,29,31,33)(H2,30,32,34)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129804
PNG
(CHEMBL3629546)
Show SMILES COc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1OC
Show InChI InChI=1S/C28H26N4O2S4/c1-33-23-15-7-3-11-19(23)29-27(35)31-21-13-5-9-17-25(21)37-38-26-18-10-6-14-22(26)32-28(36)30-20-12-4-8-16-24(20)34-2/h3-18H,1-2H3,(H2,29,31,35)(H2,30,32,36)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129740
PNG
(CHEMBL3629543)
Show SMILES Clc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C26H18Cl4N4S4/c27-17-11-9-15(13-19(17)29)31-25(35)33-21-5-1-3-7-23(21)37-38-24-8-4-2-6-22(24)34-26(36)32-16-10-12-18(28)20(30)14-16/h1-14H,(H2,31,33,35)(H2,32,34,36)
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Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129739
PNG
(CHEMBL3629544)
Show SMILES Clc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1Cl
Show InChI InChI=1S/C26H20Cl2N4S4/c27-17-9-1-3-11-19(17)29-25(33)31-21-13-5-7-15-23(21)35-36-24-16-8-6-14-22(24)32-26(34)30-20-12-4-2-10-18(20)28/h1-16H,(H2,29,31,33)(H2,30,32,34)
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Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129745
PNG
(CHEMBL3629077)
Show SMILES Cc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(C)c2)c1
Show InChI InChI=1S/C28H26N4S4/c1-19-9-7-11-21(17-19)29-27(33)31-23-13-3-5-15-25(23)35-36-26-16-6-4-14-24(26)32-28(34)30-22-12-8-10-20(2)18-22/h3-18H,1-2H3,(H2,29,31,33)(H2,30,32,34)
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Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129795
PNG
(CHEMBL3629074)
Show SMILES COc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C28H26N4O2S4/c1-33-21-15-11-19(12-16-21)29-27(35)31-23-7-3-5-9-25(23)37-38-26-10-6-4-8-24(26)32-28(36)30-20-13-17-22(34-2)18-14-20/h3-18H,1-2H3,(H2,29,31,35)(H2,30,32,36)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129796
PNG
(CHEMBL3629073)
Show SMILES Brc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H20Br2N4S4/c27-17-9-13-19(14-10-17)29-25(33)31-21-5-1-3-7-23(21)35-36-24-8-4-2-6-22(24)32-26(34)30-20-15-11-18(28)12-16-20/h1-16H,(H2,29,31,33)(H2,30,32,34)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129747
PNG
(CHEMBL3629075)
Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C26H20N6O4S4/c33-31(34)19-13-9-17(10-14-19)27-25(37)29-21-5-1-3-7-23(21)39-40-24-8-4-2-6-22(24)30-26(38)28-18-11-15-20(16-12-18)32(35)36/h1-16H,(H2,27,29,37)(H2,28,30,38)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129743
PNG
(CHEMBL3629079)
Show SMILES Brc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(Br)c2)c1
Show InChI InChI=1S/C26H20Br2N4S4/c27-17-7-5-9-19(15-17)29-25(33)31-21-11-1-3-13-23(21)35-36-24-14-4-2-12-22(24)32-26(34)30-20-10-6-8-18(28)16-20/h1-16H,(H2,29,31,33)(H2,30,32,34)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129741
PNG
(CHEMBL3629081)
Show SMILES [O-][N+](=O)c1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C26H20N6O4S4/c33-31(34)19-9-5-7-17(15-19)27-25(37)29-21-11-1-3-13-23(21)39-40-24-14-4-2-12-22(24)30-26(38)28-18-8-6-10-20(16-18)32(35)36/h1-16H,(H2,27,29,37)(H2,28,30,38)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129742
PNG
(CHEMBL3629080)
Show SMILES COc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(OC)c2)c1
Show InChI InChI=1S/C28H26N4O2S4/c1-33-21-11-7-9-19(17-21)29-27(35)31-23-13-3-5-15-25(23)37-38-26-16-6-4-14-24(26)32-28(36)30-20-10-8-12-22(18-20)34-2/h3-18H,1-2H3,(H2,29,31,35)(H2,30,32,36)
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n/an/a 1.46E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129799
PNG
(CHEMBL3629551)
Show SMILES S=C(Nc1ccccc1)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1
Show InChI InChI=1S/C26H22N4S4/c31-25(27-19-11-3-1-4-12-19)29-21-15-7-9-17-23(21)33-34-24-18-10-8-16-22(24)30-26(32)28-20-13-5-2-6-14-20/h1-18H,(H2,27,29,31)(H2,28,30,32)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129800
PNG
(CHEMBL3629550)
Show SMILES S=C(Nc1ccccc1SSc1ccccc1NC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:41:32:39:35.36.37,31:32:39:35.36.37,30:21:28:24.25.26,THB:41:36:39:32.33.40,26:25:22:28.27.29,26:27:24.25.30:22,30:25:28:21.22.29,20:21:28:24.25.26,37:36:33:39.38.40,37:38:35.36.41:33|
Show InChI InChI=1S/C34H42N4S4/c39-31(37-33-15-21-9-22(16-33)11-23(10-21)17-33)35-27-5-1-3-7-29(27)41-42-30-8-4-2-6-28(30)36-32(40)38-34-18-24-12-25(19-34)14-26(13-24)20-34/h1-8,21-26H,9-20H2,(H2,35,37,39)(H2,36,38,40)
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n/an/a 1.76E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50129803
PNG
(CHEMBL3629547)
Show SMILES Brc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1Br
Show InChI InChI=1S/C26H20Br2N4S4/c27-17-9-1-3-11-19(17)29-25(33)31-21-13-5-7-15-23(21)35-36-24-16-8-6-14-22(24)32-26(34)30-20-12-4-2-10-18(20)28/h1-16H,(H2,29,31,33)(H2,30,32,34)
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n/an/a 1.86E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50229993
PNG
(2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...)
Show SMILES NC(N)=S
Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
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n/an/a 1.95E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method

Bioorg Med Chem 23: 7211-8 (2015)


Article DOI: 10.1016/j.bmc.2015.10.017
BindingDB Entry DOI: 10.7270/Q2W097RV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%