Found 29 hits of ic50 data for polymerid = 50007198 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Proteasome subunit beta type-8
(Mus musculus) | BDBM50201035
(CHEMBL3907636)Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN=[N+]=[N-])NC(=O)OCc1ccccc1)[C@@H](C)CC |r| Show InChI InChI=1S/C38H53BN6O6/c1-6-25(2)33(44-34(46)29(19-13-14-20-41-45-40)42-36(48)49-24-27-17-11-8-12-18-27)35(47)43-32(21-26-15-9-7-10-16-26)39-50-31-23-28-22-30(37(28,3)4)38(31,5)51-39/h7-12,15-18,25,28-33H,6,13-14,19-24H2,1-5H3,(H,42,48)(H,43,47)(H,44,46)/t25-,28-,29-,30-,31+,32-,33-,38-/m0/s1 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Adelaide
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin like activity of mouse spleen 20S proteasome beta5i subunit using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15... |
ACS Med Chem Lett 7: 1039-1043 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00217
BindingDB Entry DOI: 10.7270/Q2417019 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Mus musculus) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
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Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Adelaide
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin like activity of mouse spleen 20S proteasome beta5i subunit using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15... |
ACS Med Chem Lett 7: 1039-1043 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00217
BindingDB Entry DOI: 10.7270/Q2417019 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Proteasome subunit beta type-8
(Mus musculus) | BDBM50529638
(CHEMBL4566534)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/C37H38N4O5/c1-22-27-14-8-7-13-25(27)18-29(22)35(44)39-23(2)34(43)41-32(19-26-20-38-30-16-10-9-15-28(26)30)36(45)40-31(33(42)37(3)21-46-37)17-24-11-5-4-6-12-24/h4-16,20,23,31-32,38H,17-19,21H2,1-3H3,(H,39,44)(H,40,45)(H,41,43)/t23-,31-,32-,37+/m0/s1 | PDB
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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) | BDBM50529638
(CHEMBL4566534)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/C37H38N4O5/c1-22-27-14-8-7-13-25(27)18-29(22)35(44)39-23(2)34(43)41-32(19-26-20-38-30-16-10-9-15-28(26)30)36(45)40-31(33(42)37(3)21-46-37)17-24-11-5-4-6-12-24/h4-16,20,23,31-32,38H,17-19,21H2,1-3H3,(H,39,44)(H,40,45)(H,41,43)/t23-,31-,32-,37+/m0/s1 | PDB
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| Article
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50526813
(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 | PDB
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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) | BDBM50526813
(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 | PDB
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| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50526811
(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 | PDB
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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) | BDBM50526811
(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 | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50007203
(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 | PDB
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50007203
(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 | PDB
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50526810
(CHEMBL4443505)Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1 |r,t:29| Show InChI InChI=1S/C30H42N4O7/c1-20(31-26(35)18-34-12-14-40-15-13-34)28(37)33-25(17-22-8-10-23(39-3)11-9-22)29(38)32-24(16-21-6-4-5-7-21)27(36)30(2)19-41-30/h6,8-11,20,24-25H,4-5,7,12-19H2,1-3H3,(H,31,35)(H,32,38)(H,33,37)/t20-,24-,25-,30+/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50526810
(CHEMBL4443505)Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1 |r,t:29| Show InChI InChI=1S/C30H42N4O7/c1-20(31-26(35)18-34-12-14-40-15-13-34)28(37)33-25(17-22-8-10-23(39-3)11-9-22)29(38)32-24(16-21-6-4-5-7-21)27(36)30(2)19-41-30/h6,8-11,20,24-25H,4-5,7,12-19H2,1-3H3,(H,31,35)(H,32,38)(H,33,37)/t20-,24-,25-,30+/m0/s1 | PDB
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| PC cid
PC sid
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| Article
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50201038
(CHEMBL3898621)Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(=O)c1ccc([nH]1)C(=O)CCc1ccc(OCC=C)cc1 |r| Show InChI InChI=1S/C47H54BN3O7/c1-6-25-55-35-18-13-31(14-19-35)17-24-40(52)37-22-23-38(49-37)44(53)50-39(27-33-15-20-36(21-16-33)56-26-7-2)45(54)51-43(28-32-11-9-8-10-12-32)48-57-42-30-34-29-41(46(34,3)4)47(42,5)58-48/h6-16,18-23,34,39,41-43,49H,1-2,17,24-30H2,3-5H3,(H,50,53)(H,51,54)/t34-,39-,41-,42+,43-,47-/m0/s1 | PDB
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| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Adelaide
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin like activity of mouse spleen 20S proteasome beta5i subunit using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15... |
ACS Med Chem Lett 7: 1039-1043 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00217
BindingDB Entry DOI: 10.7270/Q2417019 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Mus musculus) | BDBM50201036
(CHEMBL3972546)Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN=[N+]=[N-])NC(=O)OCc1ccccc1)[C@@H](C)CC |r| Show InChI InChI=1S/C35H55BN6O6/c1-8-23(4)30(41-31(43)26(16-12-13-17-38-42-37)39-33(45)46-21-24-14-10-9-11-15-24)32(44)40-29(18-22(2)3)36-47-28-20-25-19-27(34(25,5)6)35(28,7)48-36/h9-11,14-15,22-23,25-30H,8,12-13,16-21H2,1-7H3,(H,39,45)(H,40,44)(H,41,43)/t23-,25-,26-,27-,28+,29-,30-,35-/m0/s1 | PDB
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| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Adelaide
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin like activity of mouse spleen 20S proteasome beta5i subunit using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15... |
ACS Med Chem Lett 7: 1039-1043 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00217
BindingDB Entry DOI: 10.7270/Q2417019 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Mus musculus) | BDBM50529641
(CHEMBL4464640)Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI InChI=1S/C32H41N3O6/c1-21(33-30(38)24-12-8-5-9-13-24)29(37)35-27(19-23-14-16-25(40-3)17-15-23)31(39)34-26(28(36)32(2)20-41-32)18-22-10-6-4-7-11-22/h4,6-7,10-11,14-17,21,24,26-27H,5,8-9,12-13,18-20H2,1-3H3,(H,33,38)(H,34,39)(H,35,37)/t21-,26+,27+,32-/m1/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50529641
(CHEMBL4464640)Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI InChI=1S/C32H41N3O6/c1-21(33-30(38)24-12-8-5-9-13-24)29(37)35-27(19-23-14-16-25(40-3)17-15-23)31(39)34-26(28(36)32(2)20-41-32)18-22-10-6-4-7-11-22/h4,6-7,10-11,14-17,21,24,26-27H,5,8-9,12-13,18-20H2,1-3H3,(H,33,38)(H,34,39)(H,35,37)/t21-,26+,27+,32-/m1/s1 | PDB
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| Article
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| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50529639
(CHEMBL4454809)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](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,wU:26.27,19.19,wD:16.15,11.11,7.6,36.38,(66.97,-27.92,;66.97,-26.38,;65.64,-25.61,;64.3,-26.38,;62.97,-25.61,;62.98,-24.07,;61.64,-23.3,;61.65,-21.76,;60.31,-20.99,;58.98,-21.76,;58.98,-23.3,;57.65,-20.98,;57.65,-19.44,;56.31,-21.75,;54.98,-20.98,;54.98,-19.44,;53.64,-21.75,;52.31,-20.97,;50.98,-21.73,;50.97,-23.27,;49.63,-24.04,;52.3,-24.05,;53.65,-23.29,;62.98,-20.99,;62.98,-19.45,;64.31,-21.76,;65.65,-21,;65.65,-19.46,;66.85,-18.48,;68.28,-19.04,;69.47,-18.07,;69.23,-16.55,;67.78,-16,;66.59,-16.97,;66.98,-21.77,;66.98,-23.31,;68.31,-20.99,;69.64,-21.76,;67.53,-19.65,;69.08,-19.65,;64.3,-23.3,;65.63,-24.06,)| Show InChI InChI=1S/C32H41N3O7/c1-20(33-30(39)23-11-13-24(36)14-12-23)29(38)35-27(18-22-9-15-25(41-3)16-10-22)31(40)34-26(28(37)32(2)19-42-32)17-21-7-5-4-6-8-21/h4-10,15-16,20,23-24,26-27,36H,11-14,17-19H2,1-3H3,(H,33,39)(H,34,40)(H,35,38)/t20-,23-,24-,26+,27+,32-/m1/s1 | PDB
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| n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50529639
(CHEMBL4454809)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](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,wU:26.27,19.19,wD:16.15,11.11,7.6,36.38,(66.97,-27.92,;66.97,-26.38,;65.64,-25.61,;64.3,-26.38,;62.97,-25.61,;62.98,-24.07,;61.64,-23.3,;61.65,-21.76,;60.31,-20.99,;58.98,-21.76,;58.98,-23.3,;57.65,-20.98,;57.65,-19.44,;56.31,-21.75,;54.98,-20.98,;54.98,-19.44,;53.64,-21.75,;52.31,-20.97,;50.98,-21.73,;50.97,-23.27,;49.63,-24.04,;52.3,-24.05,;53.65,-23.29,;62.98,-20.99,;62.98,-19.45,;64.31,-21.76,;65.65,-21,;65.65,-19.46,;66.85,-18.48,;68.28,-19.04,;69.47,-18.07,;69.23,-16.55,;67.78,-16,;66.59,-16.97,;66.98,-21.77,;66.98,-23.31,;68.31,-20.99,;69.64,-21.76,;67.53,-19.65,;69.08,-19.65,;64.3,-23.3,;65.63,-24.06,)| Show InChI InChI=1S/C32H41N3O7/c1-20(33-30(39)23-11-13-24(36)14-12-23)29(38)35-27(18-22-9-15-25(41-3)16-10-22)31(40)34-26(28(37)32(2)19-42-32)17-21-7-5-4-6-8-21/h4-10,15-16,20,23-24,26-27,36H,11-14,17-19H2,1-3H3,(H,33,39)(H,34,40)(H,35,38)/t20-,23-,24-,26+,27+,32-/m1/s1 | PDB
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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) | BDBM50526812
(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 | PDB
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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) | BDBM50526812
(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 | PDB
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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) | BDBM50201037
(CHEMBL3978175)Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(=O)c1ccc([nH]1)C(=O)CCc1ccc(OCC=C)cc1 |r| Show InChI InChI=1S/C44H56BN3O7/c1-8-22-52-32-15-10-29(11-16-32)14-21-37(49)34-19-20-35(46-34)41(50)47-36(25-30-12-17-33(18-13-30)53-23-9-2)42(51)48-40(24-28(3)4)45-54-39-27-31-26-38(43(31,5)6)44(39,7)55-45/h8-13,15-20,28,31,36,38-40,46H,1-2,14,21-27H2,3-7H3,(H,47,50)(H,48,51)/t31-,36-,38-,39+,40-,44-/m0/s1 | PDB
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| n/a | n/a | 483 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Adelaide
Curated by ChEMBL
| Assay Description
Inhibition of chymotrypsin like activity of mouse spleen 20S proteasome beta5i subunit using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15... |
ACS Med Chem Lett 7: 1039-1043 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00217
BindingDB Entry DOI: 10.7270/Q2417019 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Mus musculus) | BDBM50529642
(CHEMBL4550864)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](CC2CCC2)C(=O)[C@@]2(C)CO2)cc1 |r,wU:26.27,19.19,wD:16.15,11.11,7.6,34.36,(19.65,-43.89,;19.65,-42.35,;18.32,-41.58,;16.98,-42.35,;15.65,-41.57,;15.66,-40.04,;14.32,-39.27,;14.33,-37.73,;12.99,-36.96,;11.66,-37.72,;11.66,-39.26,;10.33,-36.95,;10.33,-35.41,;8.99,-37.72,;7.66,-36.95,;7.66,-35.41,;6.32,-37.72,;4.99,-36.94,;3.66,-37.7,;3.65,-39.24,;2.32,-40.01,;4.99,-40.02,;6.33,-39.25,;15.66,-36.96,;15.66,-35.42,;16.99,-37.73,;18.33,-36.96,;18.33,-35.42,;19.53,-34.45,;21.05,-34.61,;21.21,-33.08,;19.68,-32.92,;19.66,-37.74,;19.66,-39.28,;20.99,-36.96,;22.32,-37.73,;20.21,-35.62,;21.76,-35.62,;16.98,-39.26,;18.31,-40.03,)| Show InChI InChI=1S/C30H43N3O7/c1-18(31-28(37)21-9-11-22(34)12-10-21)27(36)33-25(16-20-7-13-23(39-3)14-8-20)29(38)32-24(15-19-5-4-6-19)26(35)30(2)17-40-30/h7-8,13-14,18-19,21-22,24-25,34H,4-6,9-12,15-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/t18-,21-,22-,24+,25+,30-/m1/s1 | PDB
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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) | BDBM50529642
(CHEMBL4550864)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](CC2CCC2)C(=O)[C@@]2(C)CO2)cc1 |r,wU:26.27,19.19,wD:16.15,11.11,7.6,34.36,(19.65,-43.89,;19.65,-42.35,;18.32,-41.58,;16.98,-42.35,;15.65,-41.57,;15.66,-40.04,;14.32,-39.27,;14.33,-37.73,;12.99,-36.96,;11.66,-37.72,;11.66,-39.26,;10.33,-36.95,;10.33,-35.41,;8.99,-37.72,;7.66,-36.95,;7.66,-35.41,;6.32,-37.72,;4.99,-36.94,;3.66,-37.7,;3.65,-39.24,;2.32,-40.01,;4.99,-40.02,;6.33,-39.25,;15.66,-36.96,;15.66,-35.42,;16.99,-37.73,;18.33,-36.96,;18.33,-35.42,;19.53,-34.45,;21.05,-34.61,;21.21,-33.08,;19.68,-32.92,;19.66,-37.74,;19.66,-39.28,;20.99,-36.96,;22.32,-37.73,;20.21,-35.62,;21.76,-35.62,;16.98,-39.26,;18.31,-40.03,)| Show InChI InChI=1S/C30H43N3O7/c1-18(31-28(37)21-9-11-22(34)12-10-21)27(36)33-25(16-20-7-13-23(39-3)14-8-20)29(38)32-24(15-19-5-4-6-19)26(35)30(2)17-40-30/h7-8,13-14,18-19,21-22,24-25,34H,4-6,9-12,15-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/t18-,21-,22-,24+,25+,30-/m1/s1 | PDB
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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
(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 | PDB
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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
(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 | PDB
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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) | BDBM50099829
(CHEMBL3319584)Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16| Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1 | PDB
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| n/a | n/a | 764 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50099829
(CHEMBL3319584)Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r,c:16| Show InChI InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1 | PDB
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| n/a | n/a | 764 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50529640
(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 | PDB
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| n/a | n/a | 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50529640
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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