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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Proteasome subunit beta type-8' and Ligand = 'BDBM50099663'   
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-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 2.5n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 25n/an/an/an/an/an/a



Leiden Institute of Chemistry and Netherlands Proteomics Centre

Curated by ChEMBL


Assay Description
Inhibition of proteasome subunit beta-5i in human RPMI8226 cells using BODIPY-NC005 by fluorescent densitometry


J Med Chem 57: 6197-209 (2014)


Article DOI: 10.1021/jm500716s
BindingDB Entry DOI: 10.7270/Q2BR8TZT
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 39n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP7 in human MOLT4 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
BindingDB Entry DOI: 10.7270/Q2M61PQB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 39n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP7 in human MOLT4 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
BindingDB Entry DOI: 10.7270/Q2M61PQB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Mus musculus)
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 573n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP7 in mouse A20 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
BindingDB Entry DOI: 10.7270/Q2M61PQB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Mus musculus)
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 573n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP7 in mouse A20 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
BindingDB Entry DOI: 10.7270/Q2M61PQB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of immunoproteasome subunit LMP7 in human DOX40 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay


J Med Chem 63: 1841-1858 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01226
BindingDB Entry DOI: 10.7270/Q2QZ2F9Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of immunoproteasome subunit LMP7 in human INA60 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay


J Med Chem 63: 1841-1858 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01226
BindingDB Entry DOI: 10.7270/Q2QZ2F9Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of immunoproteasome subunit LMP7 in human MM.1R cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay


J Med Chem 63: 1841-1858 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01226
BindingDB Entry DOI: 10.7270/Q2QZ2F9Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of immunoproteasome subunit LMP7 in human KMS12PE cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay


J Med Chem 63: 1841-1858 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01226
BindingDB Entry DOI: 10.7270/Q2QZ2F9Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of immunoproteasome subunit LMP7 in human RPMI8226 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay


J Med Chem 63: 1841-1858 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01226
BindingDB Entry DOI: 10.7270/Q2QZ2F9Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of immunoproteasome subunit LMP7 in human MM.1S cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay


J Med Chem 63: 1841-1858 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01226
BindingDB Entry DOI: 10.7270/Q2QZ2F9Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of immunoproteasome subunit LMP7 in human OPM1 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay


J Med Chem 63: 1841-1858 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01226
BindingDB Entry DOI: 10.7270/Q2QZ2F9Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of immunoproteasome subunit LMP7 in human LR5 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay


J Med Chem 63: 1841-1858 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01226
BindingDB Entry DOI: 10.7270/Q2QZ2F9Z
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50099663
PNG
(CHEMBL3319482)
Show SMILES C[C@@H](NC(=O)C1=C(C)c2ccccc2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r,c:5|
Show InChI InChI=1S/C22H16ClF2N3O/c23-17-6-2-4-8-20(17)28-21(13-26-12-14-5-1-3-7-18(14)25)27-19-10-9-15(24)11-16(19)22(28)29/h1-11,26H,12-13H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of immunoproteasome subunit OPM2 in human OPM1 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay


J Med Chem 63: 1841-1858 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01226
BindingDB Entry DOI: 10.7270/Q2QZ2F9Z
More data for this
Ligand-Target Pair