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Compile Data Set for Download or QSAR

Found 12 hits of ic50 for UniProtKB: P28076   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteasome subunit beta type-9


(Mus musculus)
BDBM50526811
PNG
(Kzr-616)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CCCC1)C(=O)[C@@]1(C)CO1 |t:33|
Show InChI InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1
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n/an/a 179n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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-9


(Mus musculus)
BDBM50526811
PNG
(Kzr-616)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CCCC1)C(=O)[C@@]1(C)CO1 |t:33|
Show InChI InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1
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n/an/a 179n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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-9


(Mus musculus)
BDBM50007203
PNG
(CHEMBL3237875)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
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n/an/a 328n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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-9


(Mus musculus)
BDBM50007203
PNG
(CHEMBL3237875)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r|
Show InChI InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
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n/an/a 328n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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-9


(Mus musculus)
BDBM50526813
PNG
(CHEMBL4465456)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C35H48N4O5/c1-25(2)20-29(36-31(40)23-39-18-12-4-5-13-19-39)33(42)38-30(22-27-16-10-7-11-17-27)34(43)37-28(32(41)35(3)24-44-35)21-26-14-8-6-9-15-26/h6-11,14-17,25,28-30H,4-5,12-13,18-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t28-,29-,30-,35+/m0/s1
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n/an/a 415n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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-9


(Mus musculus)
BDBM50526813
PNG
(CHEMBL4465456)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C35H48N4O5/c1-25(2)20-29(36-31(40)23-39-18-12-4-5-13-19-39)33(42)38-30(22-27-16-10-7-11-17-27)34(43)37-28(32(41)35(3)24-44-35)21-26-14-8-6-9-15-26/h6-11,14-17,25,28-30H,4-5,12-13,18-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t28-,29-,30-,35+/m0/s1
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n/an/a 415n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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-9


(Mus musculus)
BDBM50526812
PNG
(CHEMBL4441524)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1 |r,wU:19.19,26.27,wD:16.15,35.37,7.6,11.11,t:29,(25.81,-33.19,;24.47,-33.96,;23.14,-33.19,;23.14,-31.65,;21.81,-30.89,;20.48,-31.65,;19.15,-30.88,;19.15,-29.34,;17.81,-28.57,;16.48,-29.34,;16.48,-30.88,;15.15,-28.57,;15.15,-27.03,;13.81,-29.34,;12.48,-28.57,;12.48,-27.03,;11.14,-29.34,;9.81,-28.57,;8.47,-29.34,;8.47,-30.89,;7.14,-31.65,;9.81,-31.65,;11.14,-30.89,;20.48,-28.57,;20.48,-27.03,;21.81,-29.34,;23.14,-28.57,;23.14,-27.03,;24.23,-25.95,;25.75,-26.18,;26.46,-24.81,;25.37,-23.72,;24,-24.42,;24.48,-29.34,;24.48,-30.88,;25.81,-28.57,;27.14,-29.34,;25.05,-27.23,;26.58,-27.23,;20.48,-33.2,;21.82,-33.96,)|
Show InChI InChI=1S/C31H43N3O7/c1-19(32-29(38)22-10-12-23(35)13-11-22)28(37)34-26(17-21-8-14-24(40-3)15-9-21)30(39)33-25(16-20-6-4-5-7-20)27(36)31(2)18-41-31/h6,8-9,14-15,19,22-23,25-26,35H,4-5,7,10-13,16-18H2,1-3H3,(H,32,38)(H,33,39)(H,34,37)/t19-,22-,23-,25+,26+,31-/m1/s1
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n/an/a 3.96E+3n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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-9


(Mus musculus)
BDBM50526812
PNG
(CHEMBL4441524)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1 |r,wU:19.19,26.27,wD:16.15,35.37,7.6,11.11,t:29,(25.81,-33.19,;24.47,-33.96,;23.14,-33.19,;23.14,-31.65,;21.81,-30.89,;20.48,-31.65,;19.15,-30.88,;19.15,-29.34,;17.81,-28.57,;16.48,-29.34,;16.48,-30.88,;15.15,-28.57,;15.15,-27.03,;13.81,-29.34,;12.48,-28.57,;12.48,-27.03,;11.14,-29.34,;9.81,-28.57,;8.47,-29.34,;8.47,-30.89,;7.14,-31.65,;9.81,-31.65,;11.14,-30.89,;20.48,-28.57,;20.48,-27.03,;21.81,-29.34,;23.14,-28.57,;23.14,-27.03,;24.23,-25.95,;25.75,-26.18,;26.46,-24.81,;25.37,-23.72,;24,-24.42,;24.48,-29.34,;24.48,-30.88,;25.81,-28.57,;27.14,-29.34,;25.05,-27.23,;26.58,-27.23,;20.48,-33.2,;21.82,-33.96,)|
Show InChI InChI=1S/C31H43N3O7/c1-19(32-29(38)22-10-12-23(35)13-11-22)28(37)34-26(17-21-8-14-24(40-3)15-9-21)30(39)33-25(16-20-6-4-5-7-20)27(36)31(2)18-41-31/h6,8-9,14-15,19,22-23,25-26,35H,4-5,7,10-13,16-18H2,1-3H3,(H,32,38)(H,33,39)(H,34,37)/t19-,22-,23-,25+,26+,31-/m1/s1
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n/an/a 3.96E+3n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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-9


(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 4.78E+3n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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-9


(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 4.78E+3n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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-9


(Mus musculus)
BDBM50529640
PNG
(CHEMBL4452892)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccc(C)cc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H52N4O5/c1-26(2)22-31(38-33(42)24-41-20-10-5-6-11-21-41)35(44)40-32(23-29-12-8-7-9-13-29)36(45)39-30(34(43)37(4)25-46-37)19-18-28-16-14-27(3)15-17-28/h7-9,12-17,26,30-32H,5-6,10-11,18-25H2,1-4H3,(H,38,42)(H,39,45)(H,40,44)/t30-,31-,32-,37+/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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-9


(Mus musculus)
BDBM50529640
PNG
(CHEMBL4452892)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccc(C)cc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H52N4O5/c1-26(2)22-31(38-33(42)24-41-20-10-5-6-11-21-41)35(44)40-32(23-29-12-8-7-9-13-29)36(45)39-30(34(43)37(4)25-46-37)19-18-28-16-14-27(3)15-17-28/h7-9,12-17,26,30-32H,5-6,10-11,18-25H2,1-4H3,(H,38,42)(H,39,45)(H,40,44)/t30-,31-,32-,37+/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 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