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PubMed code 24602903

Compile data set for download or QSAR
Found 11 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
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008884
PNG
(CHEMBL3237329)
Show SMILES Oc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c(O)c1
Show InChI InChI=1S/C23H16Br2N2O2/c24-12-1-5-20-16(7-12)18(10-26-20)23(15-4-3-14(28)9-22(15)29)19-11-27-21-6-2-13(25)8-17(19)21/h1-11,23,26-29H
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008901
PNG
(CHEMBL2430239)
Show SMILES Oc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C23H16Br2N2O/c24-14-3-7-21-17(9-14)19(11-26-21)23(13-1-5-16(28)6-2-13)20-12-27-22-8-4-15(25)10-18(20)22/h1-12,23,26-28H
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Article
PubMed
n/an/a 1.86E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008904
PNG
(CHEMBL3237336)
Show SMILES COc1cccc(C(c2c[nH]c3ccc(cc23)C#N)c2c[nH]c3ccc(cc23)C#N)c1O
Show InChI InChI=1S/C26H18N4O2/c1-32-24-4-2-3-17(26(24)31)25(20-13-29-22-7-5-15(11-27)9-18(20)22)21-14-30-23-8-6-16(12-28)10-19(21)23/h2-10,13-14,25,29-31H,1H3
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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008903
PNG
(CHEMBL3237335)
Show SMILES Oc1ccc(Cl)cc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C23H15Br2ClN2O/c24-12-1-4-20-15(7-12)18(10-27-20)23(17-9-14(26)3-6-22(17)29)19-11-28-21-5-2-13(25)8-16(19)21/h1-11,23,27-29H
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PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008905
PNG
(CHEMBL3237340)
Show SMILES COc1cc(ccc1O)C(c1c[nH]c2ccc(cc12)C#N)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C26H18N4O2/c1-32-25-10-17(4-7-24(25)31)26(20-13-29-22-5-2-15(11-27)8-18(20)22)21-14-30-23-6-3-16(12-28)9-19(21)23/h2-10,13-14,26,29-31H,1H3
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008885
PNG
(CHEMBL3237330)
Show SMILES Fc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C23H15Br2FN2/c24-13-5-7-21-16(9-13)18(11-27-21)23(15-3-1-2-4-20(15)26)19-12-28-22-8-6-14(25)10-17(19)22/h1-12,23,27-28H
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UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/a 1.84E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008906
PNG
(CHEMBL3237343)
Show SMILES [O-][N+](=O)c1ccccc1C(c1c[nH]c2ccc(cc12)C#N)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H15N5O2/c26-11-15-5-7-22-18(9-15)20(13-28-22)25(17-3-1-2-4-24(17)30(31)32)21-14-29-23-8-6-16(12-27)10-19(21)23/h1-10,13-14,25,28-29H
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.99E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008887
PNG
(CHEMBL3237332)
Show SMILES Cc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C24H18Br2N2/c1-14-4-2-3-5-17(14)24(20-12-27-22-8-6-15(25)10-18(20)22)21-13-28-23-9-7-16(26)11-19(21)23/h2-13,24,27-28H,1H3
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UniProtKB/TrEMBL

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UniChem
Article
PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008902
PNG
(CHEMBL3237334)
Show SMILES Clc1ccc(cc1Cl)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C23H14Br2Cl2N2/c24-13-2-5-21-15(8-13)17(10-28-21)23(12-1-4-19(26)20(27)7-12)18-11-29-22-6-3-14(25)9-16(18)22/h1-11,23,28-29H
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 2.15E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008886
PNG
(CHEMBL3237331)
Show SMILES Clc1cccc(c1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C23H15Br2ClN2/c24-14-4-6-21-17(9-14)19(11-27-21)23(13-2-1-3-16(26)8-13)20-12-28-22-7-5-15(25)10-18(20)22/h1-12,23,27-28H
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 2.23E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50008907
PNG
(D-Saccharic Acid 1,4-Lactone)
Show SMILES [H][C@@]1(OC(=O)[C@H](O)[C@H]1O)[C@H](O)C(O)=O |r|
Show InChI InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1
KEGG

UniProtKB/TrEMBL

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MCE
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 4.84E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry


Bioorg Med Chem Lett 24: 1825-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.015
BindingDB Entry DOI: 10.7270/Q2R78GRJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%