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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'davis' and Initial = 'ab'   
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
Cathepsin K


(Homo sapiens (Human))
BDBM50418002
PNG
(CHEMBL1672427)
Show SMILES Brc1ccc(Br)c(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C11H11Br2N3O2S/c12-8-1-2-10(13)11(5-8)19(17,18)15-9-3-4-16(6-9)7-14/h1-2,5,9,15H,3-4,6H2/t9-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50417996
PNG
(CHEMBL1672434)
Show SMILES C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cc(Br)ccc1Br |r|
Show InChI InChI=1S/C12H13Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,8,10,16H,4,6H2,1H3/t8-,10+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50417991
PNG
(CHEMBL1672425)
Show SMILES Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C11H12BrN3O2S/c12-9-2-1-3-11(6-9)18(16,17)14-10-4-5-15(7-10)8-13/h1-3,6,10,14H,4-5,7H2/t10-/m1/s1
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n/an/a 7.94n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50417991
PNG
(CHEMBL1672425)
Show SMILES Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C11H12BrN3O2S/c12-9-2-1-3-11(6-9)18(16,17)14-10-4-5-15(7-10)8-13/h1-3,6,10,14H,4-5,7H2/t10-/m1/s1
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n/an/a 7.94n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50417998
PNG
(CHEMBL1672426)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C13H17N3O4S/c1-19-11-3-4-12(20-2)13(7-11)21(17,18)15-10-5-6-16(8-10)9-14/h3-4,7,10,15H,5-6,8H2,1-2H3/t10-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50418002
PNG
(CHEMBL1672427)
Show SMILES Brc1ccc(Br)c(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C11H11Br2N3O2S/c12-8-1-2-10(13)11(5-8)19(17,18)15-9-3-4-16(6-9)7-14/h1-2,5,9,15H,3-4,6H2/t9-/m1/s1
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n/an/a 25.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50418001
PNG
(CHEMBL1672421 | US11414402, Example 6)
Show SMILES O=S(=O)(N[C@H]1CCN(C1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2/t10-/m0/s1
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n/an/a 31.6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50417991
PNG
(CHEMBL1672425)
Show SMILES Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C11H12BrN3O2S/c12-9-2-1-3-11(6-9)18(16,17)14-10-4-5-15(7-10)8-13/h1-3,6,10,14H,4-5,7H2/t10-/m1/s1
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n/an/a 39.8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50417996
PNG
(CHEMBL1672434)
Show SMILES C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cc(Br)ccc1Br |r|
Show InChI InChI=1S/C12H13Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,8,10,16H,4,6H2,1H3/t8-,10+/m0/s1
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n/an/a 39.8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50417997
PNG
(CHEMBL1672423)
Show SMILES Fc1ccc(cc1)C(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C12H12FN3O/c13-10-3-1-9(2-4-10)12(17)15-11-5-6-16(7-11)8-14/h1-4,11H,5-7H2,(H,15,17)/t11-/m1/s1
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n/an/a 63.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50417998
PNG
(CHEMBL1672426)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C13H17N3O4S/c1-19-11-3-4-12(20-2)13(7-11)21(17,18)15-10-5-6-16(8-10)9-14/h3-4,7,10,15H,5-6,8H2,1-2H3/t10-/m1/s1
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n/an/a 79.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50418002
PNG
(CHEMBL1672427)
Show SMILES Brc1ccc(Br)c(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C11H11Br2N3O2S/c12-8-1-2-10(13)11(5-8)19(17,18)15-9-3-4-16(6-9)7-14/h1-2,5,9,15H,3-4,6H2/t9-/m1/s1
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n/an/a 126n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50417995
PNG
(CHEMBL1672433)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@H](C)N(C1)C#N |r|
Show InChI InChI=1S/C14H19N3O4S/c1-10-6-11(8-17(10)9-15)16-22(18,19)14-7-12(20-2)4-5-13(14)21-3/h4-5,7,10-11,16H,6,8H2,1-3H3/t10-,11+/m0/s1
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n/an/a 126n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50418000
PNG
(CHEMBL1672432)
Show SMILES C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C12H14BrN3O2S/c1-9-5-11(7-16(9)8-14)15-19(17,18)12-4-2-3-10(13)6-12/h2-4,6,9,11,15H,5,7H2,1H3/t9-,11+/m0/s1
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n/an/a 158n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50417989
PNG
(CHEMBL1672422 | US11414402, Example 7)
Show SMILES O=S(=O)(N[C@@H]1CCN(C1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2/t10-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50418000
PNG
(CHEMBL1672432)
Show SMILES C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C12H14BrN3O2S/c1-9-5-11(7-16(9)8-14)15-19(17,18)12-4-2-3-10(13)6-12/h2-4,6,9,11,15H,5,7H2,1H3/t9-,11+/m0/s1
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n/an/a 251n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50417989
PNG
(CHEMBL1672422 | US11414402, Example 7)
Show SMILES O=S(=O)(N[C@@H]1CCN(C1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2/t10-/m1/s1
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n/an/a 316n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50417991
PNG
(CHEMBL1672425)
Show SMILES Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C11H12BrN3O2S/c12-9-2-1-3-11(6-9)18(16,17)14-10-4-5-15(7-10)8-13/h1-3,6,10,14H,4-5,7H2/t10-/m1/s1
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n/an/a 316n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50418001
PNG
(CHEMBL1672421 | US11414402, Example 6)
Show SMILES O=S(=O)(N[C@H]1CCN(C1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2/t10-/m0/s1
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n/an/a 316n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50417996
PNG
(CHEMBL1672434)
Show SMILES C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cc(Br)ccc1Br |r|
Show InChI InChI=1S/C12H13Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,8,10,16H,4,6H2,1H3/t8-,10+/m0/s1
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n/an/a 501n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50418001
PNG
(CHEMBL1672421 | US11414402, Example 6)
Show SMILES O=S(=O)(N[C@H]1CCN(C1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2/t10-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50418003
PNG
(CHEMBL1672419)
Show SMILES N#CN1CCC(CCc2ccccc2)C1
Show InChI InChI=1S/C13H16N2/c14-11-15-9-8-13(10-15)7-6-12-4-2-1-3-5-12/h1-5,13H,6-10H2
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n/an/a 631n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50417995
PNG
(CHEMBL1672433)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@H](C)N(C1)C#N |r|
Show InChI InChI=1S/C14H19N3O4S/c1-10-6-11(8-17(10)9-15)16-22(18,19)14-7-12(20-2)4-5-13(14)21-3/h4-5,7,10-11,16H,6,8H2,1-3H3/t10-,11+/m0/s1
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n/an/a 631n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50417993
PNG
(CHEMBL1672430)
Show SMILES C[C@@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C12H14BrN3O2S/c1-9-5-11(7-16(9)8-14)15-19(17,18)12-4-2-3-10(13)6-12/h2-4,6,9,11,15H,5,7H2,1H3/t9-,11-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50417990
PNG
(CHEMBL1672424)
Show SMILES O=C(N[C@@H]1CCN(C1)C#N)Nc1ccccc1 |r|
Show InChI InChI=1S/C12H14N4O/c13-9-16-7-6-11(8-16)15-12(17)14-10-4-2-1-3-5-10/h1-5,11H,6-8H2,(H2,14,15,17)/t11-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50417996
PNG
(CHEMBL1672434)
Show SMILES C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cc(Br)ccc1Br |r|
Show InChI InChI=1S/C12H13Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,8,10,16H,4,6H2,1H3/t8-,10+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50417990
PNG
(CHEMBL1672424)
Show SMILES O=C(N[C@@H]1CCN(C1)C#N)Nc1ccccc1 |r|
Show InChI InChI=1S/C12H14N4O/c13-9-16-7-6-11(8-16)15-12(17)14-10-4-2-1-3-5-10/h1-5,11H,6-8H2,(H2,14,15,17)/t11-/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50417990
PNG
(CHEMBL1672424)
Show SMILES O=C(N[C@@H]1CCN(C1)C#N)Nc1ccccc1 |r|
Show InChI InChI=1S/C12H14N4O/c13-9-16-7-6-11(8-16)15-12(17)14-10-4-2-1-3-5-10/h1-5,11H,6-8H2,(H2,14,15,17)/t11-/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50417998
PNG
(CHEMBL1672426)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C13H17N3O4S/c1-19-11-3-4-12(20-2)13(7-11)21(17,18)15-10-5-6-16(8-10)9-14/h3-4,7,10,15H,5-6,8H2,1-2H3/t10-/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50418003
PNG
(CHEMBL1672419)
Show SMILES N#CN1CCC(CCc2ccccc2)C1
Show InChI InChI=1S/C13H16N2/c14-11-15-9-8-13(10-15)7-6-12-4-2-1-3-5-12/h1-5,13H,6-10H2
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n/an/a 1.26E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50418002
PNG
(CHEMBL1672427)
Show SMILES Brc1ccc(Br)c(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C11H11Br2N3O2S/c12-8-1-2-10(13)11(5-8)19(17,18)15-9-3-4-16(6-9)7-14/h1-2,5,9,15H,3-4,6H2/t9-/m1/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50095495
PNG
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES N#CN1CCCC1
Show InChI InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
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n/an/a 1.58E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50417989
PNG
(CHEMBL1672422 | US11414402, Example 7)
Show SMILES O=S(=O)(N[C@@H]1CCN(C1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2/t10-/m1/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50418003
PNG
(CHEMBL1672419)
Show SMILES N#CN1CCC(CCc2ccccc2)C1
Show InChI InChI=1S/C13H16N2/c14-11-15-9-8-13(10-15)7-6-12-4-2-1-3-5-12/h1-5,13H,6-10H2
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n/an/a 1.58E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50417998
PNG
(CHEMBL1672426)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C13H17N3O4S/c1-19-11-3-4-12(20-2)13(7-11)21(17,18)15-10-5-6-16(8-10)9-14/h3-4,7,10,15H,5-6,8H2,1-2H3/t10-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50418003
PNG
(CHEMBL1672419)
Show SMILES N#CN1CCC(CCc2ccccc2)C1
Show InChI InChI=1S/C13H16N2/c14-11-15-9-8-13(10-15)7-6-12-4-2-1-3-5-12/h1-5,13H,6-10H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50417993
PNG
(CHEMBL1672430)
Show SMILES C[C@@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C12H14BrN3O2S/c1-9-5-11(7-16(9)8-14)15-19(17,18)12-4-2-3-10(13)6-12/h2-4,6,9,11,15H,5,7H2,1H3/t9-,11-/m1/s1
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n/an/a 2.51E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50417997
PNG
(CHEMBL1672423)
Show SMILES Fc1ccc(cc1)C(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C12H12FN3O/c13-10-3-1-9(2-4-10)12(17)15-11-5-6-16(7-11)8-14/h1-4,11H,5-7H2,(H,15,17)/t11-/m1/s1
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n/an/a 2.51E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50418000
PNG
(CHEMBL1672432)
Show SMILES C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C12H14BrN3O2S/c1-9-5-11(7-16(9)8-14)15-19(17,18)12-4-2-3-10(13)6-12/h2-4,6,9,11,15H,5,7H2,1H3/t9-,11+/m0/s1
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n/an/a 3.16E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50417995
PNG
(CHEMBL1672433)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@H](C)N(C1)C#N |r|
Show InChI InChI=1S/C14H19N3O4S/c1-10-6-11(8-17(10)9-15)16-22(18,19)14-7-12(20-2)4-5-13(14)21-3/h4-5,7,10-11,16H,6,8H2,1-3H3/t10-,11+/m0/s1
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n/an/a 3.16E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50417997
PNG
(CHEMBL1672423)
Show SMILES Fc1ccc(cc1)C(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C12H12FN3O/c13-10-3-1-9(2-4-10)12(17)15-11-5-6-16(7-11)8-14/h1-4,11H,5-7H2,(H,15,17)/t11-/m1/s1
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n/an/a 3.98E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50095495
PNG
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES N#CN1CCCC1
Show InChI InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
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n/an/a 3.98E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50417990
PNG
(CHEMBL1672424)
Show SMILES O=C(N[C@@H]1CCN(C1)C#N)Nc1ccccc1 |r|
Show InChI InChI=1S/C12H14N4O/c13-9-16-7-6-11(8-16)15-12(17)14-10-4-2-1-3-5-10/h1-5,11H,6-8H2,(H2,14,15,17)/t11-/m1/s1
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n/an/a 3.98E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50418001
PNG
(CHEMBL1672421 | US11414402, Example 6)
Show SMILES O=S(=O)(N[C@H]1CCN(C1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2/t10-/m0/s1
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n/an/a 3.98E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50418000
PNG
(CHEMBL1672432)
Show SMILES C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c1cccc(Br)c1 |r|
Show InChI InChI=1S/C12H14BrN3O2S/c1-9-5-11(7-16(9)8-14)15-19(17,18)12-4-2-3-10(13)6-12/h2-4,6,9,11,15H,5,7H2,1H3/t9-,11+/m0/s1
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n/an/a 3.98E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50417992
PNG
(CHEMBL1672428)
Show SMILES Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C=O |r|
Show InChI InChI=1S/C11H13BrN2O3S/c12-9-2-1-3-11(6-9)18(16,17)13-10-4-5-14(7-10)8-15/h1-3,6,8,10,13H,4-5,7H2/t10-/m1/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50418003
PNG
(CHEMBL1672419)
Show SMILES N#CN1CCC(CCc2ccccc2)C1
Show InChI InChI=1S/C13H16N2/c14-11-15-9-8-13(10-15)7-6-12-4-2-1-3-5-12/h1-5,13H,6-10H2
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n/an/a 5.01E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50417991
PNG
(CHEMBL1672425)
Show SMILES Brc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1)C#N |r|
Show InChI InChI=1S/C11H12BrN3O2S/c12-9-2-1-3-11(6-9)18(16,17)14-10-4-5-15(7-10)8-13/h1-3,6,10,14H,4-5,7H2/t10-/m1/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50417988
PNG
(CHEMBL1672420)
Show SMILES N#CN1CCCC(CCc2ccccc2)C1
Show InChI InChI=1S/C14H18N2/c15-12-16-10-4-7-14(11-16)9-8-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-11H2
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n/an/a 7.94E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50417988
PNG
(CHEMBL1672420)
Show SMILES N#CN1CCCC(CCc2ccccc2)C1
Show InChI InChI=1S/C14H18N2/c15-12-16-10-4-7-14(11-16)9-8-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-11H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
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