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BDBM50529641 CHEMBL4464640

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

InChI Key: InChIKey=JXHAWXRODIYNNP-LCFAYYECSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50529641   
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-1/beta type-5


(Homo sapiens (Human))
BDBM50529641
PNG
(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
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n/an/a 185n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of 20S proteosome beta 5 in human MOLT4 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Mus musculus)
BDBM50529641
PNG
(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
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Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of 20S proteosome beta 5 in mouse A20 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM50529641
PNG
(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
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n/an/a 29n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5


(Homo sapiens (Human))
BDBM50529641
PNG
(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
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n/an/a 185n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of 20S proteosome beta 5 in human MOLT4 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01201
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Mus musculus)
BDBM50529641
PNG
(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
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n/an/a 118n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of 20S proteosome beta 5 in mouse A20 cells by ELISA


J Med Chem 61: 11127-11143 (2018)


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


(Mus musculus)
BDBM50529641
PNG
(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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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 141n/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
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM50529641
PNG
(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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n/an/a 29n/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
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Mus musculus)
BDBM50529641
PNG
(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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 141n/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
More data for this
Ligand-Target Pair