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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Chymotrypsin-like protease CTRL-1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50031442
PNG
(1N-[4-amino(nitroimino)methylamino-1-(1-formyl-3-m...)
Show SMILES CC(C)CC(NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCN1C(=O)c2ccccc2C1=O)C1CCCC1)C=O
Show InChI InChI=1S/C35H53N7O7/c1-24(2)22-26(23-43)38-32(45)30(19-13-20-37-35(36)40-42(48)49)39-31(44)27(25-14-8-9-15-25)16-7-5-3-4-6-12-21-41-33(46)28-17-10-11-18-29(28)34(41)47/h10-11,17-18,23-27,30H,3-9,12-16,19-22H2,1-2H3,(H,38,45)(H,39,44)(H3,36,37,40)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of chymotrypsin-like protease of proteasome from postmortem human liver and brain


Bioorg Med Chem Lett 6: 287-290 (1996)

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


(Homo sapiens)
BDBM50031440
PNG
(1N-[4-amino(nitroimino)methylamino-1-(1-formyl-3-m...)
Show SMILES CC(C)CC(NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCC#N)C1CCCC1)C=O
Show InChI InChI=1S/C28H49N7O5/c1-21(2)19-23(20-36)32-27(38)25(16-12-18-31-28(30)34-35(39)40)33-26(37)24(22-13-9-10-14-22)15-8-6-4-3-5-7-11-17-29/h20-25H,3-16,18-19H2,1-2H3,(H,32,38)(H,33,37)(H3,30,31,34)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of chymotrypsin-like protease of proteasome from postmortem human liver and brain


Bioorg Med Chem Lett 6: 287-290 (1996)

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


(Homo sapiens)
BDBM50288611
PNG
(Alpha-ketocarbonyl boronic ester derivative | CHEM...)
Show SMILES CC(C)CC(NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCC#N)C1CCCC1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C33H60BN7O6/c1-24(2)23-28(34-46-32(3,4)33(5,6)47-34)39-30(43)27(20-16-22-37-31(36)40-41(44)45)38-29(42)26(25-17-13-14-18-25)19-12-10-8-7-9-11-15-21-35/h24-28H,7-20,22-23H2,1-6H3,(H,38,42)(H,39,43)(H3,36,37,40)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of chymotrypsin-like protease of proteasome from postmortem human liver and brain


Bioorg Med Chem Lett 6: 287-290 (1996)

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


(Homo sapiens)
BDBM50288609
PNG
(Alpha-ketocarbonyl derivative | CHEMBL317337)
Show SMILES CCNC(=O)C(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCC#N)C1CCCC1
Show InChI InChI=1S/C31H54N8O6/c1-4-34-30(43)27(40)26(21-22(2)3)37-29(42)25(18-14-20-35-31(33)38-39(44)45)36-28(41)24(23-15-11-12-16-23)17-10-8-6-5-7-9-13-19-32/h22-26H,4-18,20-21H2,1-3H3,(H,34,43)(H,36,41)(H,37,42)(H3,33,35,38)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of chymotrypsin-like protease of proteasome from postmortem human liver and brain


Bioorg Med Chem Lett 6: 287-290 (1996)

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


(Homo sapiens)
BDBM50288609
PNG
(Alpha-ketocarbonyl derivative | CHEMBL317337)
Show SMILES CCNC(=O)C(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCC#N)C1CCCC1
Show InChI InChI=1S/C31H54N8O6/c1-4-34-30(43)27(40)26(21-22(2)3)37-29(42)25(18-14-20-35-31(33)38-39(44)45)36-28(41)24(23-15-11-12-16-23)17-10-8-6-5-7-9-13-19-32/h22-26H,4-18,20-21H2,1-3H3,(H,34,43)(H,36,41)(H,37,42)(H3,33,35,38)
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of chymotrypsin-like protease of proteasome from postmortem human liver and brain


Bioorg Med Chem Lett 6: 287-290 (1996)

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


(Homo sapiens)
BDBM50288610
PNG
(Alpha-ketocarbonyl derivative | CHEMBL98937)
Show SMILES CC(C)CC(NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCC#N)C1CCCC1)C(=O)CCl
Show InChI InChI=1S/C29H50ClN7O5/c1-21(2)19-25(26(38)20-30)35-28(40)24(16-12-18-33-29(32)36-37(41)42)34-27(39)23(22-13-9-10-14-22)15-8-6-4-3-5-7-11-17-31/h21-25H,3-16,18-20H2,1-2H3,(H,34,39)(H,35,40)(H3,32,33,36)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of chymotrypsin-like protease of proteasome from postmortem human liver and brain


Bioorg Med Chem Lett 6: 287-290 (1996)

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


(Homo sapiens)
BDBM50288610
PNG
(Alpha-ketocarbonyl derivative | CHEMBL98937)
Show SMILES CC(C)CC(NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCC#N)C1CCCC1)C(=O)CCl
Show InChI InChI=1S/C29H50ClN7O5/c1-21(2)19-25(26(38)20-30)35-28(40)24(16-12-18-33-29(32)36-37(41)42)34-27(39)23(22-13-9-10-14-22)15-8-6-4-3-5-7-11-17-31/h21-25H,3-16,18-20H2,1-2H3,(H,34,39)(H,35,40)(H3,32,33,36)
KEGG

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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of chymotrypsin-like protease of proteasome from postmortem human liver and brain


Bioorg Med Chem Lett 6: 287-290 (1996)

More data for this
Ligand-Target Pair