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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Chymotrypsin-like protease CTRL-1' and Ligand = 'BDBM441789'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM441789
PNG
(US10640533, Identification number CX13-608 | US106...)
Show SMILES COC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)Cc1ccc(CN2CCOCC2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C39H48N4O7/c1-39(27-50-39)36(45)33(23-29-11-7-4-8-12-29)41-38(47)34(26-48-2)42-37(46)32(18-17-28-9-5-3-6-10-28)40-35(44)24-30-13-15-31(16-14-30)25-43-19-21-49-22-20-43/h3-16,32-34H,17-27H2,1-2H3,(H,40,44)(H,41,47)(H,42,46)/t32-,33-,34-,39+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.73n/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)


BindingDB Entry DOI: 10.7270/Q28G8PQN
More data for this
Ligand-Target Pair
Chymotrypsin-like protease CTRL-1


(Homo sapiens (Human))
BDBM441789
PNG
(US10640533, Identification number CX13-608 | US106...)
Show SMILES COC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)Cc1ccc(CN2CCOCC2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C39H48N4O7/c1-39(27-50-39)36(45)33(23-29-11-7-4-8-12-29)41-38(47)34(26-48-2)42-37(46)32(18-17-28-9-5-3-6-10-28)40-35(44)24-30-13-15-31(16-14-30)25-43-19-21-49-22-20-43/h3-16,32-34H,17-27H2,1-2H3,(H,40,44)(H,41,47)(H,42,46)/t32-,33-,34-,39+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.26n/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)


BindingDB Entry DOI: 10.7270/Q28G8PQN
More data for this
Ligand-Target Pair