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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'combrink' and Initial = 'kd'   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004422
PNG
(CHEMBL3238167)
Show SMILES C1CNCCN(C1)c1cncc(n1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H18N6/c1-4-17-5-7-22(6-1)16-11-18-10-15(20-16)12-2-3-14-13(8-12)9-19-21-14/h2-3,8-11,17H,1,4-7H2,(H,19,21)
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n/an/a 24n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004423
PNG
(CHEMBL3238168)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1
Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)
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n/an/a 36n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50309126
PNG
(2-(4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-...)
Show SMILES OCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319005
PNG
((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...)
Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004421
PNG
(CHEMBL3238166)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
Show InChI InChI=1S/C19H24N8/c1-2-7-26(6-1)18-19(27-8-3-4-20-5-9-27)24-17(13-22-18)15-10-14-11-23-25-16(14)12-21-15/h10-13,20H,1-9H2,(H,23,25)
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004419
PNG
(CHEMBL3238164)
Show SMILES CC(=O)NCC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O2/c1-17(30)24-14-19(31)16-27-10-12-29(13-11-27)22-21(28-8-2-3-9-28)25-15-20(26-22)18-4-6-23-7-5-18/h4-7,15,19,31H,2-3,8-14,16H2,1H3,(H,24,30)
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004420
PNG
(CHEMBL3238165)
Show SMILES CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O/c1-18(30)24-7-4-10-27-13-15-29(16-14-27)22-21(28-11-2-3-12-28)25-17-20(26-22)19-5-8-23-9-6-19/h5-6,8-9,17H,2-4,7,10-16H2,1H3,(H,24,30)
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004418
PNG
(CHEMBL3238163)
Show SMILES CN(C)CC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H33N7O/c1-26(2)16-19(30)17-27-11-13-29(14-12-27)22-21(28-9-3-4-10-28)24-15-20(25-22)18-5-7-23-8-6-18/h5-8,15,19,30H,3-4,9-14,16-17H2,1-2H3
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n/an/a 76n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004422
PNG
(CHEMBL3238167)
Show SMILES C1CNCCN(C1)c1cncc(n1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H18N6/c1-4-17-5-7-22(6-1)16-11-18-10-15(20-16)12-2-3-14-13(8-12)9-19-21-14/h2-3,8-11,17H,1,4-7H2,(H,19,21)
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319005
PNG
((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...)
Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004423
PNG
(CHEMBL3238168)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1
Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)
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n/an/a 140n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004421
PNG
(CHEMBL3238166)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
Show InChI InChI=1S/C19H24N8/c1-2-7-26(6-1)18-19(27-8-3-4-20-5-9-27)24-17(13-22-18)15-10-14-11-23-25-16(14)12-21-15/h10-13,20H,1-9H2,(H,23,25)
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n/an/a 203n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004418
PNG
(CHEMBL3238163)
Show SMILES CN(C)CC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H33N7O/c1-26(2)16-19(30)17-27-11-13-29(14-12-27)22-21(28-9-3-4-10-28)24-15-20(25-22)18-5-7-23-8-6-18/h5-8,15,19,30H,3-4,9-14,16-17H2,1-2H3
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n/an/a 288n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004420
PNG
(CHEMBL3238165)
Show SMILES CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O/c1-18(30)24-7-4-10-27-13-15-29(16-14-27)22-21(28-11-2-3-12-28)25-17-20(26-22)19-5-8-23-9-6-19/h5-6,8-9,17H,2-4,7,10-16H2,1H3,(H,24,30)
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n/an/a 346n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004419
PNG
(CHEMBL3238164)
Show SMILES CC(=O)NCC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O2/c1-17(30)24-14-19(31)16-27-10-12-29(13-11-27)22-21(28-8-2-3-9-28)25-15-20(26-22)18-4-6-23-7-5-18/h4-7,15,19,31H,2-3,8-14,16H2,1H3,(H,24,30)
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n/an/a 350n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50309126
PNG
(2-(4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-...)
Show SMILES OCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2
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n/an/a 570n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50042857
PNG
(CHEMBL3354494)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50068280
PNG
(5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...)
Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against human leukocyte elastase.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
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n/an/a 2.26E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against human leukocyte elastase.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50068298
PNG
(4-Benzyloxycarbonylamino-benzoic acid 1,1,3-trioxo...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)OCN1C(=O)c2ccccc2S1(=O)=O)OCc1ccccc1
Show InChI InChI=1S/C23H18N2O7S/c26-21-19-8-4-5-9-20(19)33(29,30)25(21)15-32-22(27)17-10-12-18(13-11-17)24-23(28)31-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,28)
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n/an/a 2.66E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against human leukocyte elastase.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50042857
PNG
(CHEMBL3354494)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin L using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50042857
PNG
(CHEMBL3354494)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin B using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50042857
PNG
(CHEMBL3354494)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin K using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50042856
PNG
(CHEMBL3354495)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C27H27Cl2N5O3/c1-27(2,18-12-19(28)14-20(29)13-18)25(35)22-11-17(5-6-23(22)37-10-9-34(3)4)26(36)32-16-21-7-8-31-24(15-30)33-21/h5-8,11-14H,9-10,16H2,1-4H3,(H,32,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin L using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (Human))
BDBM50068280
PNG
(5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...)
Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)
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n/an/a>1.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against trypsin.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50042856
PNG
(CHEMBL3354495)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C27H27Cl2N5O3/c1-27(2,18-12-19(28)14-20(29)13-18)25(35)22-11-17(5-6-23(22)37-10-9-34(3)4)26(36)32-16-21-7-8-31-24(15-30)33-21/h5-8,11-14H,9-10,16H2,1-4H3,(H,32,36)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin C using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50042856
PNG
(CHEMBL3354495)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C27H27Cl2N5O3/c1-27(2,18-12-19(28)14-20(29)13-18)25(35)22-11-17(5-6-23(22)37-10-9-34(3)4)26(36)32-16-21-7-8-31-24(15-30)33-21/h5-8,11-14H,9-10,16H2,1-4H3,(H,32,36)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin K using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50042856
PNG
(CHEMBL3354495)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C27H27Cl2N5O3/c1-27(2,18-12-19(28)14-20(29)13-18)25(35)22-11-17(5-6-23(22)37-10-9-34(3)4)26(36)32-16-21-7-8-31-24(15-30)33-21/h5-8,11-14H,9-10,16H2,1-4H3,(H,32,36)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against urokinase.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50068280
PNG
(5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...)
Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against urokinase.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50068298
PNG
(4-Benzyloxycarbonylamino-benzoic acid 1,1,3-trioxo...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)OCN1C(=O)c2ccccc2S1(=O)=O)OCc1ccccc1
Show InChI InChI=1S/C23H18N2O7S/c26-21-19-8-4-5-9-20(19)33(29,30)25(21)15-32-22(27)17-10-12-18(13-11-17)24-23(28)31-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,28)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against thrombin.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against Coagulation factor X


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50068280
PNG
(5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...)
Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against plasmin.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against thrombin.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50068280
PNG
(5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...)
Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against Coagulation factor X


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against trypsin.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50068280
PNG
(5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...)
Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against thrombin.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against plasmin.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50042857
PNG
(CHEMBL3354494)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32)
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n/an/a 6.60E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin C using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50042852
PNG
(CHEMBL3354498)
Show SMILES CCN[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC\C=C\S(C)(=O)=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C22H32Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h7,9-12,18-19,25H,6,8,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/b9-7+/t18-,19+/s2
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n/an/a 7.30E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin K using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50042856
PNG
(CHEMBL3354495)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(n1)C#N
Show InChI InChI=1S/C27H27Cl2N5O3/c1-27(2,18-12-19(28)14-20(29)13-18)25(35)22-11-17(5-6-23(22)37-10-9-34(3)4)26(36)32-16-21-7-8-31-24(15-30)33-21/h5-8,11-14H,9-10,16H2,1-4H3,(H,32,36)
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n/an/a 8.10E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin B using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50042854
PNG
(CHEMBL3354497)
Show SMILES CC(C)(C)[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O |r|
Show InChI InChI=1/C20H27Cl2N3O5S/c1-20(2,3)18(25-16(26)10-13-8-14(21)11-15(22)9-13)19(28)24-12-17(27)23-6-5-7-31(4,29)30/h5,7-9,11,18H,6,10,12H2,1-4H3,(H,23,27)(H,24,28)(H,25,26)/b7-5+/t18-/s2
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n/an/a 9.50E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin K using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50042850
PNG
(CHEMBL3354492)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C22H21Cl2N3O4/c1-22(2,14-9-15(23)11-16(24)10-14)20(29)17-8-13(4-5-18(17)31-3)21(30)27-12-19(28)26-7-6-25/h4-5,8-11H,7,12H2,1-3H3,(H,26,28)(H,27,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin B using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50042851
PNG
(CHEMBL3354499)
Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50042852
PNG
(CHEMBL3354498)
Show SMILES CCN[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC\C=C\S(C)(=O)=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C22H32Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h7,9-12,18-19,25H,6,8,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/b9-7+/t18-,19+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50042854
PNG
(CHEMBL3354497)
Show SMILES CC(C)(C)[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O |r|
Show InChI InChI=1/C20H27Cl2N3O5S/c1-20(2,3)18(25-16(26)10-13-8-14(21)11-15(22)9-13)19(28)24-12-17(27)23-6-5-7-31(4,29)30/h5,7-9,11,18H,6,10,12H2,1-4H3,(H,23,27)(H,24,28)(H,25,26)/b7-5+/t18-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50042855
PNG
(CHEMBL3354496)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC\C=C\S(C)(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O6S/c1-24(2,16-11-17(25)13-18(26)12-16)22(30)19-10-15(6-7-20(19)34-3)23(31)28-14-21(29)27-8-5-9-35(4,32)33/h5-7,9-13H,8,14H2,1-4H3,(H,27,29)(H,28,31)/b9-5+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50042858
PNG
(CHEMBL3354493)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C25H28Cl2N4O4/c1-25(2,17-12-18(26)14-19(27)13-17)23(33)20-11-16(5-6-21(20)35-10-9-31(3)4)24(34)30-15-22(32)29-8-7-28/h5-6,11-14H,8-10,15H2,1-4H3,(H,29,32)(H,30,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50042850
PNG
(CHEMBL3354492)
Show SMILES COc1ccc(cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N
Show InChI InChI=1S/C22H21Cl2N3O4/c1-22(2,14-9-15(23)11-16(24)10-14)20(29)17-8-13(4-5-18(17)31-3)21(30)27-12-19(28)26-7-6-25/h4-5,8-11H,7,12H2,1-3H3,(H,26,28)(H,27,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50042851
PNG
(CHEMBL3354499)
Show SMILES CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC\C=C\S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1/C20H25Cl2N3O5S/c1-3-16(13-9-14(21)11-15(22)10-13)19(27)24-17-5-7-25(20(17)28)12-18(26)23-6-4-8-31(2,29)30/h4,8-11,16-17H,3,5-7,12H2,1-2H3,(H,23,26)(H,24,27)/b8-4+/t16-,17-/s2
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cathepsin L using fluorogenic peptide substrate


Bioorg Med Chem Lett 25: 438-43 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.057
BindingDB Entry DOI: 10.7270/Q20G3MSB
More data for this
Ligand-Target Pair
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