Found 5 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Beta-glucuronidase
(Homo sapiens (Human)) | BDBM50028013
(CHEMBL3360798)Show SMILES CCOC(OCC)(OCC)\C=C\C(=O)c1sc2sc(C(=O)\C=C\C(OCC)(OCC)OCC)c(-c3ccccc3)c2c1C Show InChI InChI=1S/C33H42O8S2/c1-8-36-32(37-9-2,38-10-3)21-19-25(34)29-23(7)27-28(24-17-15-14-16-18-24)30(43-31(27)42-29)26(35)20-22-33(39-11-4,40-12-5)41-13-6/h14-22H,8-13H2,1-7H3/b21-19+,22-20+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide substrate incubated for 30 mins by spectrophotometry |
Bioorg Med Chem 22: 6715-25 (2014)
Article DOI: 10.1016/j.bmc.2014.08.014
BindingDB Entry DOI: 10.7270/Q20Z74W7 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50028010
(AD-810 | CHEBI:10127 | CI-912 | PD-110843 | Zonegr...)Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of carbonic anhydrase (unknown origin) |
Bioorg Med Chem 22: 6715-25 (2014)
Article DOI: 10.1016/j.bmc.2014.08.014
BindingDB Entry DOI: 10.7270/Q20Z74W7 |
More data for this
Ligand-Target Pair | |
Beta-glucuronidase
(Homo sapiens (Human)) | BDBM50008907
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide substrate incubated for 30 mins by spectrophotometry |
Bioorg Med Chem 22: 6715-25 (2014)
Article DOI: 10.1016/j.bmc.2014.08.014
BindingDB Entry DOI: 10.7270/Q20Z74W7 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50028011
(CHEMBL3360810)Show SMILES Cc1c(sc2sc(c(-c3ccccc3)c12)-c1ccc(C#N)c(=O)[nH]1)-c1ccc(C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C25H15N3O4S2/c1-12-18-19(13-5-3-2-4-6-13)21(17-9-7-14(11-26)22(29)27-17)34-25(18)33-20(12)16-10-8-15(24(31)32)23(30)28-16/h2-10H,1H3,(H,27,29)(H,28,30)(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of carbonic anhydrase (unknown origin) |
Bioorg Med Chem 22: 6715-25 (2014)
Article DOI: 10.1016/j.bmc.2014.08.014
BindingDB Entry DOI: 10.7270/Q20Z74W7 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9
(Homo sapiens (Human)) | BDBM50028012
(CHEMBL3360801)Show SMILES [#6]\[#6](=[#6](\C#N)C#N)-c1sc2sc(\[#6](-[#6])=[#6](\C#N)C#N)c(-c3ccccc3)c2c1-[#6] Show InChI InChI=1S/C23H14N4S2/c1-13(17(9-24)10-25)21-15(3)19-20(16-7-5-4-6-8-16)22(29-23(19)28-21)14(2)18(11-26)12-27/h4-8H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of carbonic anhydrase (unknown origin) |
Bioorg Med Chem 22: 6715-25 (2014)
Article DOI: 10.1016/j.bmc.2014.08.014
BindingDB Entry DOI: 10.7270/Q20Z74W7 |
More data for this
Ligand-Target Pair | |
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