BindingDB logo
myBDB logout

5 similar compounds to monomer 50444464

Compile data set for download or QSAR
Wt: 313.7
BDBM50398608
Purchase
Wt: 329.8
BDBM50444463
Wt: 325.3
BDBM50444465
Wt: 273.7
BDBM50444462
Wt: 295.3
BDBM50444466

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50398608,50444463,50444465,50444462,50444466   
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444462
PNG
(CHEMBL3092609)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)C1CC1
Show InChI InChI=1S/C12H16ClNO4/c1-11-7(4-5-13)9(16)14-12(11,10(17)18-11)8(15)6-2-3-6/h6-8,15H,2-5H2,1H3,(H,14,16)/t7-,8-,11-,12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 360n/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of 20S proteasome in HEK293 cells after 24 hrs by microscopic analysis


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444463
PNG
(CHEMBL3092608)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCCl)[C@@H](O)C1CCCCC1
Show InChI InChI=1S/C16H24ClNO4/c1-15-11(8-5-9-17)13(20)18-16(15,14(21)22-15)12(19)10-6-3-2-4-7-10/h10-12,19H,2-9H2,1H3,(H,18,20)/t11-,12-,15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 90n/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of 20S proteasome in HEK293 cells after 24 hrs by microscopic analysis


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444465
PNG
(CHEMBL3092612)
Show SMILES COC(=O)C[C@H]1C(=O)N[C@@]2([C@@H](O)C3CCCCC3)C(=O)O[C@@]12C
Show InChI InChI=1S/C16H23NO6/c1-15-10(8-11(18)22-2)13(20)17-16(15,14(21)23-15)12(19)9-6-4-3-5-7-9/h9-10,12,19H,3-8H2,1-2H3,(H,17,20)/t10-,12-,15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome after 1 hr by luminescence assay


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444466
PNG
(CHEMBL3092611)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CC=O)[C@@H](O)C1CCCCC1
Show InChI InChI=1S/C15H21NO5/c1-14-10(7-8-17)12(19)16-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h8-11,18H,2-7H2,1H3,(H,16,19)/t10-,11-,14-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome after 1 hr by luminescence assay


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50398608
PNG
(MARIZOMIB)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1
Show InChI InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta5 after 30 mins by fluorogenic assay


J Med Chem 55: 10317-27 (2012)


Article DOI: 10.1021/jm300434z
BindingDB Entry DOI: 10.7270/Q2668FBF
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444463
PNG
(CHEMBL3092608)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCCl)[C@@H](O)C1CCCCC1
Show InChI InChI=1S/C16H24ClNO4/c1-15-11(8-5-9-17)13(20)18-16(15,14(21)22-15)12(19)10-6-3-2-4-7-10/h10-12,19H,2-9H2,1H3,(H,18,20)/t11-,12-,15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome after 1 hr by luminescence assay


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50398608
PNG
(MARIZOMIB)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1
Show InChI InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome after 1 hr by luminescence assay


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50398608
PNG
(MARIZOMIB)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1
Show InChI InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta1 after 30 mins by fluorogenic assay


J Med Chem 55: 10317-27 (2012)


Article DOI: 10.1021/jm300434z
BindingDB Entry DOI: 10.7270/Q2668FBF
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50398608
PNG
(MARIZOMIB)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1
Show InChI InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta2 after 30 mins by fluorogenic assay


J Med Chem 55: 10317-27 (2012)


Article DOI: 10.1021/jm300434z
BindingDB Entry DOI: 10.7270/Q2668FBF
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444462
PNG
(CHEMBL3092609)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)C1CC1
Show InChI InChI=1S/C12H16ClNO4/c1-11-7(4-5-13)9(16)14-12(11,10(17)18-11)8(15)6-2-3-6/h6-8,15H,2-5H2,1H3,(H,14,16)/t7-,8-,11-,12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome after 1 hr by luminescence assay


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair