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Compile Data Set for Download or QSAR

Found 3 hits of ki data for polymerid = 50006276   
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
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50437693
PNG
(VIALININ A)
Show SMILES Oc1ccc(cc1)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c1OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-31(39)32(40)30(24-13-17-26(36)18-14-24)34(42-28(38)20-22-9-5-2-6-10-22)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2
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PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of wild type human USP5 expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate after 60 mins by fluorometric analysis


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50437693
PNG
(VIALININ A)
Show SMILES Oc1ccc(cc1)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c1OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-31(39)32(40)30(24-13-17-26(36)18-14-24)34(42-28(38)20-22-9-5-2-6-10-22)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2
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PubMed
1.25E+4n/an/an/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Competitive inhibition of wild type human USP5 expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50326016
PNG
(3-amino-2-benzoyl-6-oxo-6,7-dihydrothieno[2,3-b]py...)
Show SMILES Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)
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CHEMBL
PC cid
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Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Institute for Bio-Medical Research

Curated by ChEMBL


Assay Description
Inhibition of isopeptidase T


Nat Chem Biol 3: 697-705 (2007)


Article DOI: 10.1038/nchembio.2007.43
BindingDB Entry DOI: 10.7270/Q2KW5G7P
More data for this
Ligand-Target Pair