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Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'ahmat' and Initial = 'n'   
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
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284071
PNG
(CHEMBL4165927)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cc(O)c(O)cc1O)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cc(O)c(O)cc1O
Show InChI InChI=1S/C40H32N6O8/c1-20-2-4-21(5-3-20)38(28-18-41-30-8-6-22(10-26(28)30)39(53)45-43-16-24-12-34(49)36(51)14-32(24)47)29-19-42-31-9-7-23(11-27(29)31)40(54)46-44-17-25-13-35(50)37(52)15-33(25)48/h2-19,38,41-42,47-52H,1H3,(H,45,53)(H,46,54)/b43-16+,44-17+
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n/an/a 100n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284029
PNG
(CHEMBL4168635)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(O)c1O)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(O)c1O
Show InChI InChI=1S/C40H32N6O6/c1-22-8-10-23(11-9-22)36(30-20-41-32-14-12-24(16-28(30)32)39(51)45-43-18-26-4-2-6-34(47)37(26)49)31-21-42-33-15-13-25(17-29(31)33)40(52)46-44-19-27-5-3-7-35(48)38(27)50/h2-21,36,41-42,47-50H,1H3,(H,45,51)(H,46,52)/b43-18+,44-19+
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n/an/a 100n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452584
PNG
(CHEMBL4208211)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C40H30Cl4N8O2S2/c1-20-2-4-21(5-3-20)36(28-18-45-34-12-6-22(14-26(28)34)37(53)49-51-39(55)47-24-8-10-30(41)32(43)16-24)29-19-46-35-13-7-23(15-27(29)35)38(54)50-52-40(56)48-25-9-11-31(42)33(44)17-25/h2-19,36,45-46H,1H3,(H,49,53)(H,50,54)(H2,47,51,55)(H2,48,52,56)
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n/an/a 140n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284055
PNG
(CHEMBL4177204)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1c(O)cc(O)cc1O)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1c(O)cc(O)cc1O
Show InChI InChI=1S/C40H32N6O8/c1-20-2-4-21(5-3-20)38(28-16-41-32-8-6-22(10-26(28)32)39(53)45-43-18-30-34(49)12-24(47)13-35(30)50)29-17-42-33-9-7-23(11-27(29)33)40(54)46-44-19-31-36(51)14-25(48)15-37(31)52/h2-19,38,41-42,47-52H,1H3,(H,45,53)(H,46,54)/b43-18+,44-19+
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n/an/a 200n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284072
PNG
(CHEMBL4173852)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(O)c(O)c1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C40H32N6O6/c1-22-2-6-25(7-3-22)38(30-20-41-32-10-8-26(16-28(30)32)39(51)45-43-18-23-4-12-34(47)36(49)14-23)31-21-42-33-11-9-27(17-29(31)33)40(52)46-44-19-24-5-13-35(48)37(50)15-24/h2-21,38,41-42,47-50H,1H3,(H,45,51)(H,46,52)/b43-18+,44-19+
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n/an/a 300n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284057
PNG
(CHEMBL4172421)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(O)cc1O)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(O)cc1O
Show InChI InChI=1S/C40H32N6O6/c1-22-2-4-23(5-3-22)38(32-20-41-34-12-8-24(14-30(32)34)39(51)45-43-18-26-6-10-28(47)16-36(26)49)33-21-42-35-13-9-25(15-31(33)35)40(52)46-44-19-27-7-11-29(48)17-37(27)50/h2-21,38,41-42,47-50H,1H3,(H,45,51)(H,46,52)/b43-18+,44-19+
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n/an/a 300n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452571
PNG
(CHEMBL4209771)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(cc1)C(F)(F)F)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C42H32F6N8O2S2/c1-22-2-4-23(5-3-22)36(32-20-49-34-16-6-24(18-30(32)34)37(57)53-55-39(59)51-28-12-8-26(9-13-28)41(43,44)45)33-21-50-35-17-7-25(19-31(33)35)38(58)54-56-40(60)52-29-14-10-27(11-15-29)42(46,47)48/h2-21,36,49-50H,1H3,(H,53,57)(H,54,58)(H2,51,55,59)(H2,52,56,60)
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n/an/a 500n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452593
PNG
(CHEMBL4202962)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1F)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1F
Show InChI InChI=1S/C40H32F2N8O2S2/c1-22-10-12-23(13-11-22)36(28-20-43-32-16-14-24(18-26(28)32)37(51)47-49-39(53)45-34-8-4-2-6-30(34)41)29-21-44-33-17-15-25(19-27(29)33)38(52)48-50-40(54)46-35-9-5-3-7-31(35)42/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
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n/an/a 800n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452582
PNG
(CHEMBL4214144)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(F)c1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(F)c1
Show InChI InChI=1S/C40H32F2N8O2S2/c1-22-8-10-23(11-9-22)36(32-20-43-34-14-12-24(16-30(32)34)37(51)47-49-39(53)45-28-6-2-4-26(41)18-28)33-21-44-35-15-13-25(17-31(33)35)38(52)48-50-40(54)46-29-7-3-5-27(42)19-29/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
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n/an/a 980n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452583
PNG
(CHEMBL4202456)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(F)cc1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C40H32F2N8O2S2/c1-22-2-4-23(5-3-22)36(32-20-43-34-16-6-24(18-30(32)34)37(51)47-49-39(53)45-28-12-8-26(41)9-13-28)33-21-44-35-17-7-25(19-31(33)35)38(52)48-50-40(54)46-29-14-10-27(42)11-15-29/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284037
PNG
(CHEMBL4171949)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(Cl)cc1Cl)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C40H28Cl4N6O2/c1-22-2-4-23(5-3-22)38(32-20-45-36-12-8-24(14-30(32)36)39(51)49-47-18-26-6-10-28(41)16-34(26)43)33-21-46-37-13-9-25(15-31(33)37)40(52)50-48-19-27-7-11-29(42)17-35(27)44/h2-21,38,45-46H,1H3,(H,49,51)(H,50,52)/b47-18+,48-19+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284056
PNG
(CHEMBL4160327)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cc(O)ccc1O)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cc(O)ccc1O
Show InChI InChI=1S/C40H32N6O6/c1-22-2-4-23(5-3-22)38(32-20-41-34-10-6-24(16-30(32)34)39(51)45-43-18-26-14-28(47)8-12-36(26)49)33-21-42-35-11-7-25(17-31(33)35)40(52)46-44-19-27-15-29(48)9-13-37(27)50/h2-21,38,41-42,47-50H,1H3,(H,45,51)(H,46,52)/b43-18+,44-19+
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n/an/a 1.14E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452594
PNG
(CHEMBL4216656)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1Cl)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1Cl
Show InChI InChI=1S/C40H32Cl2N8O2S2/c1-22-10-12-23(13-11-22)36(28-20-43-32-16-14-24(18-26(28)32)37(51)47-49-39(53)45-34-8-4-2-6-30(34)41)29-21-44-33-17-15-25(19-27(29)33)38(52)48-50-40(54)46-35-9-5-3-7-31(35)42/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284052
PNG
(CHEMBL4167523)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccccc1F)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccccc1F
Show InChI InChI=1S/C40H30F2N6O2/c1-24-10-12-25(13-11-24)38(32-22-43-36-16-14-26(18-30(32)36)39(49)47-45-20-28-6-2-4-8-34(28)41)33-23-44-37-17-15-27(19-31(33)37)40(50)48-46-21-29-7-3-5-9-35(29)42/h2-23,38,43-44H,1H3,(H,47,49)(H,48,50)/b45-20+,46-21+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452580
PNG
(CHEMBL4205363)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Br)cc1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Br)cc1
Show InChI InChI=1S/C40H32Br2N8O2S2/c1-22-2-4-23(5-3-22)36(32-20-43-34-16-6-24(18-30(32)34)37(51)47-49-39(53)45-28-12-8-26(41)9-13-28)33-21-44-35-17-7-25(19-31(33)35)38(52)48-50-40(54)46-29-14-10-27(42)11-15-29/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284079
PNG
(CHEMBL4176132)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccccc1O)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccccc1O
Show InChI InChI=1S/C40H32N6O4/c1-24-10-12-25(13-11-24)38(32-22-41-34-16-14-26(18-30(32)34)39(49)45-43-20-28-6-2-4-8-36(28)47)33-23-42-35-17-15-27(19-31(33)35)40(50)46-44-21-29-7-3-5-9-37(29)48/h2-23,38,41-42,47-48H,1H3,(H,45,49)(H,46,50)/b43-20+,44-21+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452579
PNG
(CHEMBL4210263)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(Br)c1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(Br)c1
Show InChI InChI=1S/C40H32Br2N8O2S2/c1-22-8-10-23(11-9-22)36(32-20-43-34-14-12-24(16-30(32)34)37(51)47-49-39(53)45-28-6-2-4-26(41)18-28)33-21-44-35-15-13-25(17-31(33)35)38(52)48-50-40(54)46-29-7-3-5-27(42)19-29/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284069
PNG
(CHEMBL4162081)
Show SMILES COc1ccc(O)c(\C=N\NC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)N\N=C\c4cc(OC)ccc4O)c4ccc(C)cc4)c3c2)c1
Show InChI InChI=1S/C42H36N6O6/c1-24-4-6-25(7-5-24)40(34-22-43-36-12-8-26(18-32(34)36)41(51)47-45-20-28-16-30(53-2)10-14-38(28)49)35-23-44-37-13-9-27(19-33(35)37)42(52)48-46-21-29-17-31(54-3)11-15-39(29)50/h4-23,40,43-44,49-50H,1-3H3,(H,47,51)(H,48,52)/b45-20+,46-21+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50092444
PNG
(CHEMBL3586121)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccc1O
Show InChI InChI=1S/C23H18N4O2/c1-13-11-18-19(12-14(13)2)25-21(24-18)15-7-9-16(10-8-15)22-26-27-23(29-22)17-5-3-4-6-20(17)28/h3-12,28H,1-2H3,(H,24,25)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...

Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))		BDBM193670
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2,4,...)
Show SMILES Clc1cc(Cl)c(cc1Cl)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C24H14Cl6N2O4S4/c25-13-9-17(29)23(11-15(13)27)39(33,34)31-19-5-1-3-7-21(19)37-38-22-8-4-2-6-20(22)32-40(35,36)24-12-16(28)14(26)10-18(24)30/h1-12,31-32H
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universiti Teknologi MARA



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 µL...

Bioorg Chem 68: 15-22 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2542MCP
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284062
PNG
(CHEMBL4175388)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(F)c1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(F)c1
Show InChI InChI=1S/C40H30F2N6O2/c1-24-8-10-27(11-9-24)38(34-22-43-36-14-12-28(18-32(34)36)39(49)47-45-20-25-4-2-6-30(41)16-25)35-23-44-37-15-13-29(19-33(35)37)40(50)48-46-21-26-5-3-7-31(42)17-26/h2-23,38,43-44H,1H3,(H,47,49)(H,48,50)/b45-20+,46-21+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284076
PNG
(CHEMBL4165215)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(O)cc1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C40H32N6O4/c1-24-2-8-27(9-3-24)38(34-22-41-36-16-10-28(18-32(34)36)39(49)45-43-20-25-4-12-30(47)13-5-25)35-23-42-37-17-11-29(19-33(35)37)40(50)46-44-21-26-6-14-31(48)15-7-26/h2-23,38,41-42,47-48H,1H3,(H,45,49)(H,46,50)/b43-20+,44-21+
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n/an/a 2.35E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452597
PNG
(CHEMBL4213332)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1Br)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1Br
Show InChI InChI=1S/C40H32Br2N8O2S2/c1-22-10-12-23(13-11-22)36(28-20-43-32-16-14-24(18-26(28)32)37(51)47-49-39(53)45-34-8-4-2-6-30(34)41)29-21-44-33-17-15-25(19-27(29)33)38(52)48-50-40(54)46-35-9-5-3-7-31(35)42/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284068
PNG
(CHEMBL4167354)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)N\N=C\c4ccc(OC)c(O)c4)c4ccc(C)cc4)c3c2)cc1O
Show InChI InChI=1S/C42H36N6O6/c1-24-4-8-27(9-5-24)40(32-22-43-34-12-10-28(18-30(32)34)41(51)47-45-20-25-6-14-38(53-2)36(49)16-25)33-23-44-35-13-11-29(19-31(33)35)42(52)48-46-21-26-7-15-39(54-3)37(50)17-26/h4-23,40,43-44,49-50H,1-3H3,(H,47,51)(H,48,52)/b45-20+,46-21+
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n/an/a 2.67E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Binding affinity towards HSV-1 thymidine kinase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452592
PNG
(CHEMBL4217720)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Cl)cc1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C40H32Cl2N8O2S2/c1-22-2-4-23(5-3-22)36(32-20-43-34-16-6-24(18-30(32)34)37(51)47-49-39(53)45-28-12-8-26(41)9-13-28)33-21-44-35-17-7-25(19-31(33)35)38(52)48-50-40(54)46-29-14-10-27(42)11-15-29/h2-21,36,43-44H,1H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284053
PNG
(CHEMBL4174339)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccccc1Cl)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccccc1Cl
Show InChI InChI=1S/C40H30Cl2N6O2/c1-24-10-12-25(13-11-24)38(32-22-43-36-16-14-26(18-30(32)36)39(49)47-45-20-28-6-2-4-8-34(28)41)33-23-44-37-17-15-27(19-31(33)37)40(50)48-46-21-29-7-3-5-9-35(29)42/h2-23,38,43-44H,1H3,(H,47,49)(H,48,50)/b45-20+,46-21+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284061
PNG
(CHEMBL4175788)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(F)cc1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(F)cc1
Show InChI InChI=1S/C40H30F2N6O2/c1-24-2-8-27(9-3-24)38(34-22-43-36-16-10-28(18-32(34)36)39(49)47-45-20-25-4-12-30(41)13-5-25)35-23-44-37-17-11-29(19-33(35)37)40(50)48-46-21-26-6-14-31(42)15-7-26/h2-23,38,43-44H,1H3,(H,47,49)(H,48,50)/b45-20+,46-21+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284075
PNG
(CHEMBL4171988)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\C=C\c1ccccc1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\C=C\c1ccccc1
Show InChI InChI=1S/C44H36N6O2/c1-30-16-18-33(19-17-30)42(38-28-45-40-22-20-34(26-36(38)40)43(51)49-47-24-8-14-31-10-4-2-5-11-31)39-29-46-41-23-21-35(27-37(39)41)44(52)50-48-25-9-15-32-12-6-3-7-13-32/h2-29,42,45-46H,1H3,(H,49,51)(H,50,52)/b14-8+,15-9+,47-24+,48-25+
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n/an/a 2.98E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50092351
PNG
(CHEMBL3586128)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccc(O)cc1
Show InChI InChI=1S/C26H25Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6-7,10-11,14H2,1H3
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n/an/a 3.14E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...

Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452595
PNG
(CHEMBL4203333)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1C)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccccc1C
Show InChI InChI=1S/C42H38N8O2S2/c1-24-12-14-27(15-13-24)38(32-22-43-36-18-16-28(20-30(32)36)39(51)47-49-41(53)45-34-10-6-4-8-25(34)2)33-23-44-37-19-17-29(21-31(33)37)40(52)48-50-42(54)46-35-11-7-5-9-26(35)3/h4-23,38,43-44H,1-3H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))		BDBM193667
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2,4-...)
Show SMILES [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C24H16N6O12S4/c31-27(32)15-9-11-23(19(13-15)29(35)36)45(39,40)25-17-5-1-3-7-21(17)43-44-22-8-4-2-6-18(22)26-46(41,42)24-12-10-16(28(33)34)14-20(24)30(37)38/h1-14,25-26H
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n/an/a 3.34E+3n/an/an/an/an/an/a



Universiti Teknologi MARA



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 µL...

Bioorg Chem 68: 15-22 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2542MCP
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284070
PNG
(CHEMBL4169361)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)N\N=C\c4ccc(OC)cc4O)c4ccc(C)cc4)c3c2)c(O)c1
Show InChI InChI=1S/C42H36N6O6/c1-24-4-6-25(7-5-24)40(34-22-43-36-14-10-26(16-32(34)36)41(51)47-45-20-28-8-12-30(53-2)18-38(28)49)35-23-44-37-15-11-27(17-33(35)37)42(52)48-46-21-29-9-13-31(54-3)19-39(29)50/h4-23,40,43-44,49-50H,1-3H3,(H,47,51)(H,48,52)/b45-20+,46-21+
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n/an/a 3.45E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50092460
PNG
(CHEMBL3586119)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C22H17N5O/c1-13-11-18-19(12-14(13)2)25-20(24-18)15-6-8-16(9-7-15)21-26-27-22(28-21)17-5-3-4-10-23-17/h3-12H,1-2H3,(H,24,25)
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n/an/a 4.12E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...

Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452586
PNG
(CHEMBL4214719)
Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)NNC(=S)Nc4ccc(C)cc4)c4ccc(C)cc4)c3c2)cc1
Show InChI InChI=1S/C42H38N8O2S2/c1-24-4-10-27(11-5-24)38(34-22-43-36-18-12-28(20-32(34)36)39(51)47-49-41(53)45-30-14-6-25(2)7-15-30)35-23-44-37-19-13-29(21-33(35)37)40(52)48-50-42(54)46-31-16-8-26(3)9-17-31/h4-23,38,43-44H,1-3H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452585
PNG
(CHEMBL4218470)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(C)c1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(C)c1
Show InChI InChI=1S/C42H38N8O2S2/c1-24-10-12-27(13-11-24)38(34-22-43-36-16-14-28(20-32(34)36)39(51)47-49-41(53)45-30-8-4-6-25(2)18-30)35-23-44-37-17-15-29(21-33(35)37)40(52)48-50-42(54)46-31-9-5-7-26(3)19-31/h4-23,38,43-44H,1-3H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284063
PNG
(CHEMBL4164077)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(Cl)cc1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C40H30Cl2N6O2/c1-24-2-8-27(9-3-24)38(34-22-43-36-16-10-28(18-32(34)36)39(49)47-45-20-25-4-12-30(41)13-5-25)35-23-44-37-17-11-29(19-33(35)37)40(50)48-46-21-26-6-14-31(42)15-7-26/h2-23,38,43-44H,1H3,(H,47,49)(H,48,50)/b45-20+,46-21+
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n/an/a 5.80E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284074
PNG
(CHEMBL4160713)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(O)c1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(O)c1
Show InChI InChI=1S/C40H32N6O4/c1-24-8-10-27(11-9-24)38(34-22-41-36-14-12-28(18-32(34)36)39(49)45-43-20-25-4-2-6-30(47)16-25)35-23-42-37-15-13-29(19-33(35)37)40(50)46-44-21-26-5-3-7-31(48)17-26/h2-23,38,41-42,47-48H,1H3,(H,45,49)(H,46,50)/b43-20+,44-21+
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n/an/a 5.87E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))		BDBM193657
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2-fl...)
Show SMILES Fc1ccccc1S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C24H18F2N2O4S4/c25-17-9-1-7-15-23(17)35(29,30)27-19-11-3-5-13-21(19)33-34-22-14-6-4-12-20(22)28-36(31,32)24-16-8-2-10-18(24)26/h1-16,27-28H
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n/an/a 6.23E+3n/an/an/an/an/an/a



Universiti Teknologi MARA



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 µL...

Bioorg Chem 68: 15-22 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2542MCP
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284064
PNG
(CHEMBL4163659)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(Cl)c1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(Cl)c1
Show InChI InChI=1S/C40H30Cl2N6O2/c1-24-8-10-27(11-9-24)38(34-22-43-36-14-12-28(18-32(34)36)39(49)47-45-20-25-4-2-6-30(41)16-25)35-23-44-37-15-13-29(19-33(35)37)40(50)48-46-21-26-5-3-7-31(42)17-26/h2-23,38,43-44H,1H3,(H,47,49)(H,48,50)/b45-20+,46-21+
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n/an/a 6.90E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50284078
PNG
(CHEMBL4161782)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(c1)[N+]([O-])=O)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C40H30N8O6/c1-24-8-10-27(11-9-24)38(34-22-41-36-14-12-28(18-32(34)36)39(49)45-43-20-25-4-2-6-30(16-25)47(51)52)35-23-42-37-15-13-29(19-33(35)37)40(50)46-44-21-26-5-3-7-31(17-26)48(53)54/h2-23,38,41-42H,1H3,(H,45,49)(H,46,50)/b43-20+,44-21+
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n/an/a 7.57E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human beta-glucuronidase

Eur J Med Chem 143: 1757-1767 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.071
BindingDB Entry DOI: 10.7270/Q23N25X1
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452581
PNG
(CHEMBL4208151)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(c1)[N+]([O-])=O)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C40H32N10O6S2/c1-22-8-10-23(11-9-22)36(32-20-41-34-14-12-24(16-30(32)34)37(51)45-47-39(57)43-26-4-2-6-28(18-26)49(53)54)33-21-42-35-15-13-25(17-31(33)35)38(52)46-48-40(58)44-27-5-3-7-29(19-27)50(55)56/h2-21,36,41-42H,1H3,(H,45,51)(H,46,52)(H2,43,47,57)(H2,44,48,58)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))		BDBM50092465
PNG
(CHEMBL3586113)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)-c1nnc(o1)-c1cccc(O)c1
Show InChI InChI=1S/C23H18N4O2/c1-13-10-19-20(11-14(13)2)25-21(24-19)15-6-8-16(9-7-15)22-26-27-23(29-22)17-4-3-5-18(28)12-17/h3-12,28H,1-2H3,(H,24,25)
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n/an/a 8.14E+3n/an/an/an/an/an/a



Universiti Teknologi MARA

Curated by ChEMBL


Assay Description
Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte...

Bioorg Med Chem 23: 3119-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.081
BindingDB Entry DOI: 10.7270/Q2NZ89CV
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))		BDBM193654
PNG
(N,N'-(disulfanediylbis(2,1-phenylene))bis(2-ch...)
Show SMILES Clc1ccccc1S(=O)(=O)Nc1ccccc1SSc1ccccc1NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C24H18Cl2N2O4S4/c25-17-9-1-7-15-23(17)35(29,30)27-19-11-3-5-13-21(19)33-34-22-14-6-4-12-20(22)28-36(31,32)24-16-8-2-10-18(24)26/h1-16,27-28H
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n/an/a 8.18E+3n/an/an/an/an/an/a



Universiti Teknologi MARA



Assay Description
β-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 µL...

Bioorg Chem 68: 15-22 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2542MCP
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM175324
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20N4O4/c1-12-7-17-18(8-13(12)2)26-22(25-17)15-3-5-16(6-4-15)23(31)27-24-11-14-9-19(28)21(30)20(29)10-14/h3-11,28-30H,1-2H3,(H,25,26)(H,27,31)/b24-11+
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n/an/a 8.40E+3n/an/an/an/a6.8n/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...

Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452587
PNG
(CHEMBL4216067)
Show SMILES COc1ccccc1NC(=S)NNC(=O)c1ccc2[nH]cc(C(c3c[nH]c4ccc(cc34)C(=O)NNC(=S)Nc3ccccc3OC)c3ccc(C)cc3)c2c1
Show InChI InChI=1S/C42H38N8O4S2/c1-24-12-14-25(15-13-24)38(30-22-43-32-18-16-26(20-28(30)32)39(51)47-49-41(55)45-34-8-4-6-10-36(34)53-2)31-23-44-33-19-17-27(21-29(31)33)40(52)48-50-42(56)46-35-9-5-7-11-37(35)54-3/h4-23,38,43-44H,1-3H3,(H,47,51)(H,48,52)(H2,45,49,55)(H2,46,50,56)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM175315
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c(O)c1
Show InChI InChI=1S/C24H22N4O3/c1-14-10-20-21(11-15(14)2)27-23(26-20)16-4-6-17(7-5-16)24(30)28-25-13-18-8-9-19(31-3)12-22(18)29/h4-13,29H,1-3H3,(H,26,27)(H,28,30)/b25-13+
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n/an/a 8.44E+3n/an/an/an/a6.8n/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...

Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM175317
PNG
((E)-4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-N...)
Show SMILES COc1ccc(O)c(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c1
Show InChI InChI=1S/C24H22N4O3/c1-14-10-20-21(11-15(14)2)27-23(26-20)16-4-6-17(7-5-16)24(30)28-25-13-18-12-19(31-3)8-9-22(18)29/h4-13,29H,1-3H3,(H,26,27)(H,28,30)/b25-13+
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n/an/a 8.44E+3n/an/an/an/a6.8n/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...

Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM175311
PNG
((E)-N'-(2,4-dihydroxybenzylidene)-4-(5,6-dimet...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccc(O)cc1O
Show InChI InChI=1S/C23H20N4O3/c1-13-9-19-20(10-14(13)2)26-22(25-19)15-3-5-16(6-4-15)23(30)27-24-12-17-7-8-18(28)11-21(17)29/h3-12,28-29H,1-2H3,(H,25,26)(H,27,30)/b24-12+
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n/an/a 8.74E+3n/an/an/an/a6.8n/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...

Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM175309
PNG
((E)-N'-(2,5-dihydroxybenzylidene)-4-(5,6-dimet...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cc(O)ccc1O
Show InChI InChI=1S/C23H20N4O3/c1-13-9-19-20(10-14(13)2)26-22(25-19)15-3-5-16(6-4-15)23(30)27-24-12-17-11-18(28)7-8-21(17)29/h3-12,28-29H,1-2H3,(H,25,26)(H,27,30)/b24-12+
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Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration ...

Bioorg Chem 64: 29-36 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.006
BindingDB Entry DOI: 10.7270/Q2W37V2M
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452591
PNG
(CHEMBL4214615)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(cc1)[N+]([O-])=O)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C40H32N10O6S2/c1-22-2-4-23(5-3-22)36(32-20-41-34-16-6-24(18-30(32)34)37(51)45-47-39(57)43-26-8-12-28(13-9-26)49(53)54)33-21-42-35-17-7-25(19-31(33)35)38(52)46-48-40(58)44-27-10-14-29(15-11-27)50(55)56/h2-21,36,41-42H,1H3,(H,45,51)(H,46,52)(H2,43,47,57)(H2,44,48,58)
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UniChem
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n/an/a 9.50E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
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