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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50004558   
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))
BDBM50484065
PNG
(CHEMBL1808311)
Show SMILES Oc1cc(O)c(cc1O)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NO3S/c15-9-6-11(17)10(16)5-7(9)13-14-8-3-1-2-4-12(8)18-13/h1-6,15-17H
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.26E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50484063
PNG
(CHEMBL1650632)
Show SMILES Oc1ccccc1-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
KEGG

UniProtKB/TrEMBL

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.23E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50484066
PNG
(CHEMBL1808308)
Show SMILES Oc1ccc(O)c(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NO2S/c15-8-5-6-11(16)9(7-8)13-14-10-3-1-2-4-12(10)17-13/h1-7,15-16H
KEGG

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM33932
PNG
(4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
KEGG

UniProtKB/TrEMBL

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MCE
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PC sid
UniChem

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Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50339940
PNG
(4-(Benzo[d]thiazol-2-yl)benzene-1,3-diol | CHEMBL1...)
Show SMILES Oc1ccc(-c2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C13H9NO2S/c15-8-5-6-9(11(16)7-8)13-14-10-3-1-2-4-12(10)17-13/h1-7,15-16H
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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.94E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM33577
PNG
(3-(1,3-benzothiazol-2-yl)phenol | MLS000063319 | S...)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
KEGG

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a 3.61E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
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
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UniProtKB/TrEMBL

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MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

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 assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM50484064
PNG
(2-(3,4-Dihydroxyphenyl)Benzothiazole | CHEMBL43713...)
Show SMILES Oc1ccc(cc1O)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NO2S/c15-10-6-5-8(7-11(10)16)13-14-9-3-1-2-4-12(9)17-13/h1-7,15-16H
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair