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Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with all data for entry = 50009086   
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
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525277
PNG
(CHEMBL4525977)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C34H44N6O3/c1-6-33(41)36-29-23-27(12-10-24(29)2)43-34-30(40-18-8-7-9-19-40)14-15-32(37-34)35-28-13-11-26(22-31(28)42-5)39-20-16-25(17-21-39)38(3)4/h6,10-15,22-23,25H,1,7-9,16-21H2,2-5H3,(H,35,37)(H,36,41)
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n/an/a 1n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50383274
PNG
(CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
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n/an/a 1.70n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using biotin-labelled peptide as substrate preincubated for 2 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525273
PNG
(CHEMBL4465060)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H37F3N6O3/c1-4-30(42)37-26-21-23(9-10-24(26)32(33,34)35)44-31-27(41-14-6-5-7-15-41)12-13-29(38-31)36-25-11-8-22(20-28(25)43-3)40-18-16-39(2)17-19-40/h4,8-13,20-21H,1,5-7,14-19H2,2-3H3,(H,36,38)(H,37,42)
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n/an/a 1.80n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525275
PNG
(CHEMBL4540948)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H40N6O3/c1-5-31(39)34-27-22-25(11-9-23(27)2)41-32-28(38-15-7-6-8-16-38)13-14-30(35-32)33-26-12-10-24(21-29(26)40-4)37-19-17-36(3)18-20-37/h5,9-14,21-22H,1,6-8,15-20H2,2-4H3,(H,33,35)(H,34,39)
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National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525277
PNG
(CHEMBL4525977)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C34H44N6O3/c1-6-33(41)36-29-23-27(12-10-24(29)2)43-34-30(40-18-8-7-9-19-40)14-15-32(37-34)35-28-13-11-26(22-31(28)42-5)39-20-16-25(17-21-39)38(3)4/h6,10-15,22-23,25H,1,7-9,16-21H2,2-5H3,(H,35,37)(H,36,41)
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n/an/a 2.20n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525273
PNG
(CHEMBL4465060)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H37F3N6O3/c1-4-30(42)37-26-21-23(9-10-24(26)32(33,34)35)44-31-27(41-14-6-5-7-15-41)12-13-29(38-31)36-25-11-8-22(20-28(25)43-3)40-18-16-39(2)17-19-40/h4,8-13,20-21H,1,5-7,14-19H2,2-3H3,(H,36,38)(H,37,42)
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n/an/a 2.30n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525273
PNG
(CHEMBL4465060)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H37F3N6O3/c1-4-30(42)37-26-21-23(9-10-24(26)32(33,34)35)44-31-27(41-14-6-5-7-15-41)12-13-29(38-31)36-25-11-8-22(20-28(25)43-3)40-18-16-39(2)17-19-40/h4,8-13,20-21H,1,5-7,14-19H2,2-3H3,(H,36,38)(H,37,42)
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n/an/a 2.40n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525283
PNG
(CHEMBL4458557)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccc(N3CCCCC3)c(Oc3ccc(C)c(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C31H38N6O2/c1-4-30(38)33-27-22-26(13-8-23(27)2)39-31-28(37-16-6-5-7-17-37)14-15-29(34-31)32-24-9-11-25(12-10-24)36-20-18-35(3)19-21-36/h4,8-15,22H,1,5-7,16-21H2,2-3H3,(H,32,34)(H,33,38)
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n/an/a 2.70n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525295
PNG
(CHEMBL4541754)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCN(C)CC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H41N7O3/c1-6-31(40)34-27-22-25(9-7-23(27)2)42-32-28(39-19-15-37(4)16-20-39)11-12-30(35-32)33-26-10-8-24(21-29(26)41-5)38-17-13-36(3)14-18-38/h6-12,21-22H,1,13-20H2,2-5H3,(H,33,35)(H,34,40)
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n/an/a 2.80n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50011502
PNG
(CHEMBL3261926)
Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C (unknown origin)


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525275
PNG
(CHEMBL4540948)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H40N6O3/c1-5-31(39)34-27-22-25(11-9-23(27)2)41-32-28(38-15-7-6-8-16-38)13-14-30(35-32)33-26-12-10-24(21-29(26)40-4)37-19-17-36(3)18-20-37/h5,9-14,21-22H,1,6-8,15-20H2,2-4H3,(H,33,35)(H,34,39)
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n/an/a 3.40n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525282
PNG
(CHEMBL4464752)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCOCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N6O4/c1-5-30(38)33-26-21-24(8-6-22(26)2)41-31-27(37-16-18-40-19-17-37)10-11-29(34-31)32-25-9-7-23(20-28(25)39-4)36-14-12-35(3)13-15-36/h5-11,20-21H,1,12-19H2,2-4H3,(H,32,34)(H,33,38)
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n/an/a 3.90n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525297
PNG
(CHEMBL4567974)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H35F3N6O3/c1-4-29(41)36-25-20-22(8-9-23(25)31(32,33)34)43-30-26(40-13-5-6-14-40)11-12-28(37-30)35-24-10-7-21(19-27(24)42-3)39-17-15-38(2)16-18-39/h4,7-12,19-20H,1,5-6,13-18H2,2-3H3,(H,35,37)(H,36,41)
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n/an/a 4n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525295
PNG
(CHEMBL4541754)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCN(C)CC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H41N7O3/c1-6-31(40)34-27-22-25(9-7-23(27)2)42-32-28(39-19-15-37(4)16-20-39)11-12-30(35-32)33-26-10-8-24(21-29(26)41-5)38-17-13-36(3)14-18-38/h6-12,21-22H,1,13-20H2,2-5H3,(H,33,35)(H,34,40)
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n/an/a 4.70n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525280
PNG
(CHEMBL4578535)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC(O)C2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H40N6O4/c1-5-31(40)34-27-20-25(10-8-22(27)2)42-32-28(38-14-6-7-24(39)21-38)12-13-30(35-32)33-26-11-9-23(19-29(26)41-4)37-17-15-36(3)16-18-37/h5,8-13,19-20,24,39H,1,6-7,14-18,21H2,2-4H3,(H,33,35)(H,34,40)
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n/an/a 4.90n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525283
PNG
(CHEMBL4458557)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccc(N3CCCCC3)c(Oc3ccc(C)c(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C31H38N6O2/c1-4-30(38)33-27-22-26(13-8-23(27)2)39-31-28(37-16-6-5-7-17-37)14-15-29(34-31)32-24-9-11-25(12-10-24)36-20-18-35(3)19-21-36/h4,8-15,22H,1,5-7,16-21H2,2-3H3,(H,32,34)(H,33,38)
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n/an/a 5.80n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525282
PNG
(CHEMBL4464752)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCOCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N6O4/c1-5-30(38)33-26-21-24(8-6-22(26)2)41-31-27(37-16-18-40-19-17-37)10-11-29(34-31)32-25-9-7-23(20-28(25)39-4)36-14-12-35(3)13-15-36/h5-11,20-21H,1,12-19H2,2-4H3,(H,32,34)(H,33,38)
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n/an/a 5.90n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525284
PNG
(CHEMBL4463389)
Show SMILES COc1nc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O3/c1-5-29(39)33-25-21-23(10-9-22(25)2)41-31-26(37-15-7-6-8-16-37)12-13-27(34-31)32-24-11-14-28(35-30(24)40-4)38-19-17-36(3)18-20-38/h5,9-14,21H,1,6-8,15-20H2,2-4H3,(H,32,34)(H,33,39)
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n/an/a 6.5n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525297
PNG
(CHEMBL4567974)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H35F3N6O3/c1-4-29(41)36-25-20-22(8-9-23(25)31(32,33)34)43-30-26(40-13-5-6-14-40)11-12-28(37-30)35-24-10-7-21(19-27(24)42-3)39-17-15-38(2)16-18-39/h4,7-12,19-20H,1,5-6,13-18H2,2-3H3,(H,35,37)(H,36,41)
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n/an/a 6.70n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525280
PNG
(CHEMBL4578535)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC(O)C2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H40N6O4/c1-5-31(40)34-27-20-25(10-8-22(27)2)42-32-28(38-14-6-7-24(39)21-38)12-13-30(35-32)33-26-11-9-23(19-29(26)41-4)37-17-15-36(3)16-18-37/h5,8-13,19-20,24,39H,1,6-7,14-18,21H2,2-4H3,(H,33,35)(H,34,40)
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n/an/a 7.40n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525284
PNG
(CHEMBL4463389)
Show SMILES COc1nc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O3/c1-5-29(39)33-25-21-23(10-9-22(25)2)41-31-26(37-15-7-6-8-16-37)12-13-27(34-31)32-24-11-14-28(35-30(24)40-4)38-19-17-36(3)18-20-38/h5,9-14,21H,1,6-8,15-20H2,2-4H3,(H,32,34)(H,33,39)
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n/an/a 10n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525274
PNG
(CHEMBL4465111)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N6O3/c1-5-30(38)33-26-21-24(10-8-22(26)2)40-31-27(37-14-6-7-15-37)12-13-29(34-31)32-25-11-9-23(20-28(25)39-4)36-18-16-35(3)17-19-36/h5,8-13,20-21H,1,6-7,14-19H2,2-4H3,(H,32,34)(H,33,38)
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n/an/a 12n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525297
PNG
(CHEMBL4567974)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H35F3N6O3/c1-4-29(41)36-25-20-22(8-9-23(25)31(32,33)34)43-30-26(40-13-5-6-14-40)11-12-28(37-30)35-24-10-7-21(19-27(24)42-3)39-17-15-38(2)16-18-39/h4,7-12,19-20H,1,5-6,13-18H2,2-3H3,(H,35,37)(H,36,41)
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n/an/a 12n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525277
PNG
(CHEMBL4525977)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C34H44N6O3/c1-6-33(41)36-29-23-27(12-10-24(29)2)43-34-30(40-18-8-7-9-19-40)14-15-32(37-34)35-28-13-11-26(22-31(28)42-5)39-20-16-25(17-21-39)38(3)4/h6,10-15,22-23,25H,1,7-9,16-21H2,2-5H3,(H,35,37)(H,36,41)
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n/an/a 16n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525275
PNG
(CHEMBL4540948)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H40N6O3/c1-5-31(39)34-27-22-25(11-9-23(27)2)41-32-28(38-15-7-6-8-16-38)13-14-30(35-32)33-26-12-10-24(21-29(26)40-4)37-19-17-36(3)18-20-37/h5,9-14,21-22H,1,6-8,15-20H2,2-4H3,(H,33,35)(H,34,39)
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n/an/a 17n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525283
PNG
(CHEMBL4458557)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccc(N3CCCCC3)c(Oc3ccc(C)c(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C31H38N6O2/c1-4-30(38)33-27-22-26(13-8-23(27)2)39-31-28(37-16-6-5-7-17-37)14-15-29(34-31)32-24-9-11-25(12-10-24)36-20-18-35(3)19-21-36/h4,8-15,22H,1,5-7,16-21H2,2-3H3,(H,32,34)(H,33,38)
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n/an/a 18n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525279
PNG
(CHEMBL4560030)
Show SMILES COc1ccc(Oc2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ccc2N2CCCC2)cc1NC(=O)C=C
Show InChI InChI=1S/C31H38N6O4/c1-5-30(38)33-25-21-23(9-12-27(25)39-3)41-31-26(37-14-6-7-15-37)11-13-29(34-31)32-24-10-8-22(20-28(24)40-4)36-18-16-35(2)17-19-36/h5,8-13,20-21H,1,6-7,14-19H2,2-4H3,(H,32,34)(H,33,38)
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n/an/a 21n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525281
PNG
(CHEMBL4456214)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCC(O)C2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N6O4/c1-5-30(39)33-26-19-24(8-6-21(26)2)41-31-27(37-13-12-23(38)20-37)10-11-29(34-31)32-25-9-7-22(18-28(25)40-4)36-16-14-35(3)15-17-36/h5-11,18-19,23,38H,1,12-17,20H2,2-4H3,(H,32,34)(H,33,39)
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n/an/a 28n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525284
PNG
(CHEMBL4463389)
Show SMILES COc1nc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O3/c1-5-29(39)33-25-21-23(10-9-22(25)2)41-31-26(37-15-7-6-8-16-37)12-13-27(34-31)32-24-11-14-28(35-30(24)40-4)38-19-17-36(3)18-20-38/h5,9-14,21H,1,6-8,15-20H2,2-4H3,(H,32,34)(H,33,39)
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n/an/a 29n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525281
PNG
(CHEMBL4456214)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCC(O)C2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N6O4/c1-5-30(39)33-26-19-24(8-6-21(26)2)41-31-27(37-13-12-23(38)20-37)10-11-29(34-31)32-25-9-7-22(18-28(25)40-4)36-16-14-35(3)15-17-36/h5-11,18-19,23,38H,1,12-17,20H2,2-4H3,(H,32,34)(H,33,39)
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n/an/a 32n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525280
PNG
(CHEMBL4578535)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC(O)C2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H40N6O4/c1-5-31(40)34-27-20-25(10-8-22(27)2)42-32-28(38-14-6-7-24(39)21-38)12-13-30(35-32)33-26-11-9-23(19-29(26)41-4)37-17-15-36(3)16-18-37/h5,8-13,19-20,24,39H,1,6-7,14-18,21H2,2-4H3,(H,33,35)(H,34,40)
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n/an/a 34n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525274
PNG
(CHEMBL4465111)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N6O3/c1-5-30(38)33-26-21-24(10-8-22(26)2)40-31-27(37-14-6-7-15-37)12-13-29(34-31)32-25-11-9-23(20-28(25)39-4)36-18-16-35(3)17-19-36/h5,8-13,20-21H,1,6-7,14-19H2,2-4H3,(H,32,34)(H,33,38)
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n/an/a 41n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525274
PNG
(CHEMBL4465111)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N6O3/c1-5-30(38)33-26-21-24(10-8-22(26)2)40-31-27(37-14-6-7-15-37)12-13-29(34-31)32-25-11-9-23(20-28(25)39-4)36-18-16-35(3)17-19-36/h5,8-13,20-21H,1,6-7,14-19H2,2-4H3,(H,32,34)(H,33,38)
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n/an/a 44n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525295
PNG
(CHEMBL4541754)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCN(C)CC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H41N7O3/c1-6-31(40)34-27-22-25(9-7-23(27)2)42-32-28(39-19-15-37(4)16-20-39)11-12-30(35-32)33-26-10-8-24(21-29(26)41-5)38-17-13-36(3)14-18-38/h6-12,21-22H,1,13-20H2,2-5H3,(H,33,35)(H,34,40)
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n/an/a 47n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525281
PNG
(CHEMBL4456214)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCC(O)C2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N6O4/c1-5-30(39)33-26-19-24(8-6-21(26)2)41-31-27(37-13-12-23(38)20-37)10-11-29(34-31)32-25-9-7-22(18-28(25)40-4)36-16-14-35(3)15-17-36/h5-11,18-19,23,38H,1,12-17,20H2,2-4H3,(H,32,34)(H,33,39)
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n/an/a 49n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525282
PNG
(CHEMBL4464752)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCOCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N6O4/c1-5-30(38)33-26-21-24(8-6-22(26)2)41-31-27(37-16-18-40-19-17-37)10-11-29(34-31)32-25-9-7-23(20-28(25)39-4)36-14-12-35(3)13-15-36/h5-11,20-21H,1,12-19H2,2-4H3,(H,32,34)(H,33,38)
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n/an/a 59n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525279
PNG
(CHEMBL4560030)
Show SMILES COc1ccc(Oc2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ccc2N2CCCC2)cc1NC(=O)C=C
Show InChI InChI=1S/C31H38N6O4/c1-5-30(38)33-25-21-23(9-12-27(25)39-3)41-31-26(37-14-6-7-15-37)11-13-29(34-31)32-24-10-8-22(20-28(24)40-4)36-18-16-35(2)17-19-36/h5,8-13,20-21H,1,6-7,14-19H2,2-4H3,(H,32,34)(H,33,38)
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n/an/a 70n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525296
PNG
(CHEMBL4575149)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C33H40N6O4/c1-5-32(41)35-28-22-26(11-9-23(28)2)43-33-29(39-15-7-6-8-16-39)13-14-31(36-33)34-27-12-10-25(21-30(27)42-4)38-19-17-37(18-20-38)24(3)40/h5,9-14,21-22H,1,6-8,15-20H2,2-4H3,(H,34,36)(H,35,41)
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n/an/a 135n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525279
PNG
(CHEMBL4560030)
Show SMILES COc1ccc(Oc2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ccc2N2CCCC2)cc1NC(=O)C=C
Show InChI InChI=1S/C31H38N6O4/c1-5-30(38)33-25-21-23(9-12-27(25)39-3)41-31-26(37-14-6-7-15-37)11-13-29(34-31)32-24-10-8-22(20-28(24)40-4)36-18-16-35(2)17-19-36/h5,8-13,20-21H,1,6-7,14-19H2,2-4H3,(H,32,34)(H,33,38)
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n/an/a 140n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525302
PNG
(CHEMBL4450731)
Show SMILES COc1cc(ccc1Nc1ccc(c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)-c1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C33H35N5O3/c1-5-32(39)35-29-22-26(13-11-23(29)2)41-33-27(24-9-7-6-8-10-24)14-16-31(36-33)34-28-15-12-25(21-30(28)40-4)38-19-17-37(3)18-20-38/h5-16,21-22H,1,17-20H2,2-4H3,(H,34,36)(H,35,39)
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n/an/a 154n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525303
PNG
(CHEMBL4546923)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C30H36N6O3/c1-4-29(37)31-22-8-7-9-24(20-22)39-30-26(36-14-5-6-15-36)12-13-28(33-30)32-25-11-10-23(21-27(25)38-3)35-18-16-34(2)17-19-35/h4,7-13,20-21H,1,5-6,14-19H2,2-3H3,(H,31,37)(H,32,33)
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n/an/a 175n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525301
PNG
(CHEMBL4449155)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N6O3/c1-4-30(38)32-23-9-8-10-25(21-23)40-31-27(37-15-6-5-7-16-37)13-14-29(34-31)33-26-12-11-24(22-28(26)39-3)36-19-17-35(2)18-20-36/h4,8-14,21-22H,1,5-7,15-20H2,2-3H3,(H,32,38)(H,33,34)
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n/an/a 221n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525304
PNG
(CHEMBL4436999)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCCC2)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C32H40N6O3/c1-4-31(39)33-24-10-9-11-26(22-24)41-32-28(38-16-7-5-6-8-17-38)14-15-30(35-32)34-27-13-12-25(23-29(27)40-3)37-20-18-36(2)19-21-37/h4,9-15,22-23H,1,5-8,16-21H2,2-3H3,(H,33,39)(H,34,35)
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n/an/a 271n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525276
PNG
(CHEMBL4466182)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ccc(N3CCCCC3)c(Oc3ccc(C)c(NC(=O)C=C)c3)n2)nc1
Show InChI InChI=1S/C32H41N7O2/c1-5-31(40)34-27-21-26(11-9-23(27)2)41-32-28(39-17-7-6-8-18-39)12-14-30(36-32)35-29-13-10-25(22-33-29)38-19-15-24(16-20-38)37(3)4/h5,9-14,21-22,24H,1,6-8,15-20H2,2-4H3,(H,34,40)(H,33,35,36)
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n/an/a 307n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525300
PNG
(CHEMBL4447034)
Show SMILES COc1cc(ccc1Nc1ccc(C#C)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C28H29N5O3/c1-5-20-10-13-26(31-28(20)36-23-9-7-8-21(18-23)29-27(34)6-2)30-24-12-11-22(19-25(24)35-4)33-16-14-32(3)15-17-33/h1,6-13,18-19H,2,14-17H2,3-4H3,(H,29,34)(H,30,31)
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n/an/a 392n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525286
PNG
(CHEMBL4447167)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C25H26ClN5O2/c1-3-24(32)28-19-5-4-6-21(17-19)33-25-22(26)11-12-23(29-25)27-18-7-9-20(10-8-18)31-15-13-30(2)14-16-31/h3-12,17H,1,13-16H2,2H3,(H,27,29)(H,28,32)
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n/an/a 483n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525287
PNG
(CHEMBL4469443)
Show SMILES Clc1ccc(Nc2ccc(cc2)N2CCNCC2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H24ClN5O2/c1-2-23(31)28-18-4-3-5-20(16-18)32-24-21(25)10-11-22(29-24)27-17-6-8-19(9-7-17)30-14-12-26-13-15-30/h2-11,16,26H,1,12-15H2,(H,27,29)(H,28,31)
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n/an/a 499n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525294
PNG
(CHEMBL4575481)
Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2cc(NC(=O)C=C)ccc2C)n1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N6O3/c1-5-30(38)32-23-9-8-22(2)27(20-23)40-31-26(37-14-6-7-15-37)12-13-29(34-31)33-25-11-10-24(21-28(25)39-4)36-18-16-35(3)17-19-36/h5,8-13,20-21H,1,6-7,14-19H2,2-4H3,(H,32,38)(H,33,34)
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n/an/a 505n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525298
PNG
(CHEMBL4515293)
Show SMILES COc1cc(ccc1Nc1ccc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H28ClN5O3/c1-4-25(33)28-18-6-5-7-20(16-18)35-26-21(27)9-11-24(30-26)29-22-10-8-19(17-23(22)34-3)32-14-12-31(2)13-15-32/h4-11,16-17H,1,12-15H2,2-3H3,(H,28,33)(H,29,30)
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n/an/a 537n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50525290
PNG
(CHEMBL4547039)
Show SMILES Clc1ccc(Nc2ccc(cc2)N2CCN(CC3CC3)CC2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H30ClN5O2/c1-2-27(35)31-22-4-3-5-24(18-22)36-28-25(29)12-13-26(32-28)30-21-8-10-23(11-9-21)34-16-14-33(15-17-34)19-20-6-7-20/h2-5,8-13,18,20H,1,6-7,14-17,19H2,(H,30,32)(H,31,35)
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n/an/a 783n/an/an/an/an/an/a



National Institute of Biological Sciences (NIBS)

Curated by ChEMBL


Assay Description
Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...


J Med Chem 62: 5901-5919 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00631
BindingDB Entry DOI: 10.7270/Q2MG7SX9
More data for this
Ligand-Target Pair
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