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SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@@]1(C)CO1

InChI Key: InChIKey=AHVXQDMJNRJFSX-CQMLEQORSA-N

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 6 hits for monomerid = 441784   
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
Chymotrypsin-like protease CTRL-1


(Homo sapiens (Human))
BDBM441784
PNG
(US10640533, Identification number CX13-600 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H47N5O7/c1-25(2)20-30(33(43)37(3)24-48-37)39-35(45)31(21-27-12-8-5-9-13-27)40-34(44)29(15-14-26-10-6-4-7-11-26)38-36(46)32-22-28(49-41-32)23-42-16-18-47-19-17-42/h4-13,22,25,29-31H,14-21,23-24H2,1-3H3,(H,38,46)(H,39,45)(H,40,44)/t29-,30-,31-,37+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.41n/an/an/an/an/an/a



CENTRAX INTERNATIONAL, INC.

US Patent


Assay Description
Inhibition of the chymotrypsin-like (CT-L), peptidylglutamyl peptide hydrolyzing activity (PGPH), and trypsin-like (T-L) activities of the 20S protea...


US Patent US10640533 (2020)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM441784
PNG
(US10640533, Identification number CX13-600 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H47N5O7/c1-25(2)20-30(33(43)37(3)24-48-37)39-35(45)31(21-27-12-8-5-9-13-27)40-34(44)29(15-14-26-10-6-4-7-11-26)38-36(46)32-22-28(49-41-32)23-42-16-18-47-19-17-42/h4-13,22,25,29-31H,14-21,23-24H2,1-3H3,(H,38,46)(H,39,45)(H,40,44)/t29-,30-,31-,37+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



CENTRAX INTERNATIONAL, INC.

US Patent


Assay Description
Inhibition of the chymotrypsin-like (CT-L), peptidylglutamyl peptide hydrolyzing activity (PGPH), and trypsin-like (T-L) activities of the 20S protea...


US Patent US10640533 (2020)

More data for this
Ligand-Target Pair
Transmembrane protease serine 11D


(Homo sapiens (Human))
BDBM441784
PNG
(US10640533, Identification number CX13-600 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H47N5O7/c1-25(2)20-30(33(43)37(3)24-48-37)39-35(45)31(21-27-12-8-5-9-13-27)40-34(44)29(15-14-26-10-6-4-7-11-26)38-36(46)32-22-28(49-41-32)23-42-16-18-47-19-17-42/h4-13,22,25,29-31H,14-21,23-24H2,1-3H3,(H,38,46)(H,39,45)(H,40,44)/t29-,30-,31-,37+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



CENTRAX INTERNATIONAL, INC.

US Patent


Assay Description
Inhibition of the chymotrypsin-like (CT-L), peptidylglutamyl peptide hydrolyzing activity (PGPH), and trypsin-like (T-L) activities of the 20S protea...


US Patent US10640533 (2020)

More data for this
Ligand-Target Pair
Chymotrypsin-like protease CTRL-1


(Homo sapiens (Human))
BDBM441784
PNG
(US10640533, Identification number CX13-600 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H47N5O7/c1-25(2)20-30(33(43)37(3)24-48-37)39-35(45)31(21-27-12-8-5-9-13-27)40-34(44)29(15-14-26-10-6-4-7-11-26)38-36(46)32-22-28(49-41-32)23-42-16-18-47-19-17-42/h4-13,22,25,29-31H,14-21,23-24H2,1-3H3,(H,38,46)(H,39,45)(H,40,44)/t29-,30-,31-,37+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.28n/an/an/an/an/an/a



CENTRAX INTERNATIONAL, INC.

US Patent


Assay Description
Inhibition of the chymotrypsin-like (CT-L), peptidylglutamyl peptide hydrolyzing activity (PGPH), and trypsin-like (T-L) activities of the 20S protea...


US Patent US10640533 (2020)

More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM441784
PNG
(US10640533, Identification number CX13-600 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H47N5O7/c1-25(2)20-30(33(43)37(3)24-48-37)39-35(45)31(21-27-12-8-5-9-13-27)40-34(44)29(15-14-26-10-6-4-7-11-26)38-36(46)32-22-28(49-41-32)23-42-16-18-47-19-17-42/h4-13,22,25,29-31H,14-21,23-24H2,1-3H3,(H,38,46)(H,39,45)(H,40,44)/t29-,30-,31-,37+/m0/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



CENTRAX INTERNATIONAL, INC.

US Patent


Assay Description
Inhibition of the chymotrypsin-like (CT-L), peptidylglutamyl peptide hydrolyzing activity (PGPH), and trypsin-like (T-L) activities of the 20S protea...


US Patent US10640533 (2020)

More data for this
Ligand-Target Pair
Transmembrane protease serine 11D


(Homo sapiens (Human))
BDBM441784
PNG
(US10640533, Identification number CX13-600 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C37H47N5O7/c1-25(2)20-30(33(43)37(3)24-48-37)39-35(45)31(21-27-12-8-5-9-13-27)40-34(44)29(15-14-26-10-6-4-7-11-26)38-36(46)32-22-28(49-41-32)23-42-16-18-47-19-17-42/h4-13,22,25,29-31H,14-21,23-24H2,1-3H3,(H,38,46)(H,39,45)(H,40,44)/t29-,30-,31-,37+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.99E+4n/an/an/an/an/an/a



CENTRAX INTERNATIONAL, INC.

US Patent


Assay Description
Inhibition of the chymotrypsin-like (CT-L), peptidylglutamyl peptide hydrolyzing activity (PGPH), and trypsin-like (T-L) activities of the 20S protea...


US Patent US10640533 (2020)

More data for this
Ligand-Target Pair