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BDBM441777 US10640533, Identification number CX13-109::US10640533, Table 1.24

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[C@@]1(C)CO1

InChI Key: InChIKey=SDKAVNLYMZVQEF-ZPBGSLHZSA-N

Data: 6 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 6 hits for monomerid = 441777   
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))
BDBM441777
PNG
(US10640533, Identification number CX13-109 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C33H45N5O6/c1-23(2)19-28(32(42)36-27(30(40)33(3)22-44-33)20-25-11-13-34-14-12-25)37-31(41)26(10-9-24-7-5-4-6-8-24)35-29(39)21-38-15-17-43-18-16-38/h4-8,11-14,23,26-28H,9-10,15-22H2,1-3H3,(H,35,39)(H,36,42)(H,37,41)/t26-,27-,28-,33+/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a>500n/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))
BDBM441777
PNG
(US10640533, Identification number CX13-109 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C33H45N5O6/c1-23(2)19-28(32(42)36-27(30(40)33(3)22-44-33)20-25-11-13-34-14-12-25)37-31(41)26(10-9-24-7-5-4-6-8-24)35-29(39)21-38-15-17-43-18-16-38/h4-8,11-14,23,26-28H,9-10,15-22H2,1-3H3,(H,35,39)(H,36,42)(H,37,41)/t26-,27-,28-,33+/m0/s1
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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))
BDBM441777
PNG
(US10640533, Identification number CX13-109 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C33H45N5O6/c1-23(2)19-28(32(42)36-27(30(40)33(3)22-44-33)20-25-11-13-34-14-12-25)37-31(41)26(10-9-24-7-5-4-6-8-24)35-29(39)21-38-15-17-43-18-16-38/h4-8,11-14,23,26-28H,9-10,15-22H2,1-3H3,(H,35,39)(H,36,42)(H,37,41)/t26-,27-,28-,33+/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))
BDBM441777
PNG
(US10640533, Identification number CX13-109 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C33H45N5O6/c1-23(2)19-28(32(42)36-27(30(40)33(3)22-44-33)20-25-11-13-34-14-12-25)37-31(41)26(10-9-24-7-5-4-6-8-24)35-29(39)21-38-15-17-43-18-16-38/h4-8,11-14,23,26-28H,9-10,15-22H2,1-3H3,(H,35,39)(H,36,42)(H,37,41)/t26-,27-,28-,33+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>500n/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))
BDBM441777
PNG
(US10640533, Identification number CX13-109 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C33H45N5O6/c1-23(2)19-28(32(42)36-27(30(40)33(3)22-44-33)20-25-11-13-34-14-12-25)37-31(41)26(10-9-24-7-5-4-6-8-24)35-29(39)21-38-15-17-43-18-16-38/h4-8,11-14,23,26-28H,9-10,15-22H2,1-3H3,(H,35,39)(H,36,42)(H,37,41)/t26-,27-,28-,33+/m0/s1
PDB
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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))
BDBM441777
PNG
(US10640533, Identification number CX13-109 | US106...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C33H45N5O6/c1-23(2)19-28(32(42)36-27(30(40)33(3)22-44-33)20-25-11-13-34-14-12-25)37-31(41)26(10-9-24-7-5-4-6-8-24)35-29(39)21-38-15-17-43-18-16-38/h4-8,11-14,23,26-28H,9-10,15-22H2,1-3H3,(H,35,39)(H,36,42)(H,37,41)/t26-,27-,28-,33+/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