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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50043707   
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
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50444909
PNG
(CHEMBL3099618)
Show SMILES [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1
Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3
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Article
PubMed
580n/an/an/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogeni...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50444908
PNG
(CHEMBL3099624)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6]/c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C36H46N2O2/c1-2-9-23-37(22-8-1)26-28-39-34-18-14-32(15-19-34)36(30-31-12-6-5-7-13-31)33-16-20-35(21-17-33)40-29-27-38-24-10-3-4-11-25-38/h5-7,12-21,30H,1-4,8-11,22-29H2
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Article
PubMed
870n/an/an/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogeni...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50444888
PNG
(CHEMBL3099621)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C42H50N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5-10,15-26H,1-4,11-14,27-34H2
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Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogeni...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair