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PubMed code 11141092

Compile data set for download or QSAR
Found 85 hits of Enzyme Inhibition Constant Data   
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))		BDBM50095493
PNG
(CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...)
Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2
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 20n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against human cathepsin K

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095489
PNG
(CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...)
Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
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
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 90n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against human cathepsin K

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095491
PNG
((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...)
Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1
Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)
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 140n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against human cathepsin K

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095488
PNG
(1,3-Dihydro-pyrrolo[3,4-b]quinoline-2-carbonitrile...)
Show SMILES N#CN1Cc2cc3ccccc3nc2C1
Show InChI InChI=1S/C12H9N3/c13-8-15-6-10-5-9-3-1-2-4-11(9)14-12(10)7-15/h1-5H,6-7H2
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 380n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against human cathepsin K

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095487
PNG
(CHEMBL8796 | Cyclohexanecarboxylic acid (1-cyano-a...)
Show SMILES O=C(NCC1CN(C1)C#N)C1CCCCC1
Show InChI InChI=1S/C12H19N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h10-11H,1-8H2,(H,14,16)
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n/an/a 5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095487
PNG
(CHEMBL8796 | Cyclohexanecarboxylic acid (1-cyano-a...)
Show SMILES O=C(NCC1CN(C1)C#N)C1CCCCC1
Show InChI InChI=1S/C12H19N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h10-11H,1-8H2,(H,14,16)
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n/an/a 6n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095487
PNG
(CHEMBL8796 | Cyclohexanecarboxylic acid (1-cyano-a...)
Show SMILES O=C(NCC1CN(C1)C#N)C1CCCCC1
Show InChI InChI=1S/C12H19N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h10-11H,1-8H2,(H,14,16)
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n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K receptor using gelatinase assay

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095487
PNG
(CHEMBL8796 | Cyclohexanecarboxylic acid (1-cyano-a...)
Show SMILES O=C(NCC1CN(C1)C#N)C1CCCCC1
Show InChI InChI=1S/C12H19N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h10-11H,1-8H2,(H,14,16)
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n/an/a 16n/an/an/an/a5.5n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin K at pH 5.5

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095493
PNG
(CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...)
Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2
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n/an/a 17n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against human cathepsin K

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095489
PNG
(CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...)
Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
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
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n/an/a 18n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K receptor using gelatinase assay

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095491
PNG
((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...)
Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1
Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)
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n/an/a 20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K receptor using gelatinase assay

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095493
PNG
(CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...)
Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2
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n/an/a 20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095483
PNG
(3-Cyclohexylmethoxy-azetidine-1-carbonitrile | CHE...)
Show SMILES N#CN1CC(C1)OCC1CCCCC1
Show InChI InChI=1S/C11H18N2O/c12-9-13-6-11(7-13)14-8-10-4-2-1-3-5-10/h10-11H,1-8H2
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n/an/a 20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095487
PNG
(CHEMBL8796 | Cyclohexanecarboxylic acid (1-cyano-a...)
Show SMILES O=C(NCC1CN(C1)C#N)C1CCCCC1
Show InChI InChI=1S/C12H19N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h10-11H,1-8H2,(H,14,16)
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n/an/a 27n/an/an/an/a5.5n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Effect of 10 mM of GSH on the inhibitory activity of compound against Cathepsin K, at pH 5.5

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095487
PNG
(CHEMBL8796 | Cyclohexanecarboxylic acid (1-cyano-a...)
Show SMILES O=C(NCC1CN(C1)C#N)C1CCCCC1
Show InChI InChI=1S/C12H19N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h10-11H,1-8H2,(H,14,16)
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n/an/a 38n/an/an/an/a7.0n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin K at pH 7

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095491
PNG
((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...)
Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1
Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)
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n/an/a 40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against human cathepsin K

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095491
PNG
((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...)
Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1
Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)
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n/an/a 40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095486
PNG
(3-Benzyloxy-azetidine-1-carbonitrile | CHEMBL8547)
Show SMILES N#CN1CC(C1)OCc1ccccc1
Show InChI InChI=1S/C11H12N2O/c12-9-13-6-11(7-13)14-8-10-4-2-1-3-5-10/h1-5,11H,6-8H2
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n/an/a 40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095493
PNG
(CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...)
Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2
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n/an/a 50n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095491
PNG
((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...)
Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1
Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)
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n/an/a 50n/an/an/an/a7.0n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin K at pH 7

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095489
PNG
(CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...)
Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
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
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n/an/a 50n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095491
PNG
((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...)
Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1
Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)
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n/an/a 54n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095491
PNG
((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...)
Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1
Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)
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n/an/a 60n/an/an/an/a5.5n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin K at pH 5.5

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095498
PNG
(CHEMBL8577 | N-(1-Cyano-azetidin-3-ylmethyl)-benza...)
Show SMILES O=C(NCC1CN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C12H13N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h1-5,10H,6-8H2,(H,14,16)
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n/an/a 70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095489
PNG
(CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...)
Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
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
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n/an/a 80n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095489
PNG
(CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...)
Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
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
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n/an/a 81n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against human cathepsin K

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095491
PNG
((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...)
Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1
Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)
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n/an/a 90n/an/an/an/a5.5n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Effect of 10 mM of GSH on the inhibitory activity of compound against Cathepsin K, at pH 5.5

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095490
PNG
(3-Benzyloxymethyl-pyrrolidine-1-carbonitrile | CHE...)
Show SMILES N#CN1CCC(COCc2ccccc2)C1
Show InChI InChI=1S/C13H16N2O/c14-11-15-7-6-13(8-15)10-16-9-12-4-2-1-3-5-12/h1-5,13H,6-10H2
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n/an/a 100n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095483
PNG
(3-Cyclohexylmethoxy-azetidine-1-carbonitrile | CHE...)
Show SMILES N#CN1CC(C1)OCC1CCCCC1
Show InChI InChI=1S/C11H18N2O/c12-9-13-6-11(7-13)14-8-10-4-2-1-3-5-10/h10-11H,1-8H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095486
PNG
(3-Benzyloxy-azetidine-1-carbonitrile | CHEMBL8547)
Show SMILES N#CN1CC(C1)OCc1ccccc1
Show InChI InChI=1S/C11H12N2O/c12-9-13-6-11(7-13)14-8-10-4-2-1-3-5-10/h1-5,11H,6-8H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095485
PNG
(Azetidine-1-carbonitrile | CHEMBL8123)
Show SMILES N#CN1CCC1
Show InChI InChI=1S/C4H6N2/c5-4-6-2-1-3-6/h1-3H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095491
PNG
((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...)
Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1
Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)
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n/an/a 150n/an/an/an/a7.0n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Effect of 10 mM of GSH on the inhibitory activity against Cathepsin K, at pH 7

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095490
PNG
(3-Benzyloxymethyl-pyrrolidine-1-carbonitrile | CHE...)
Show SMILES N#CN1CCC(COCc2ccccc2)C1
Show InChI InChI=1S/C13H16N2O/c14-11-15-7-6-13(8-15)10-16-9-12-4-2-1-3-5-12/h1-5,13H,6-10H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095487
PNG
(CHEMBL8796 | Cyclohexanecarboxylic acid (1-cyano-a...)
Show SMILES O=C(NCC1CN(C1)C#N)C1CCCCC1
Show InChI InChI=1S/C12H19N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h10-11H,1-8H2,(H,14,16)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095491
PNG
((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...)
Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1
Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)
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n/an/a 200n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095494
PNG
(CHEMBL8563 | N-(1-Cyano-pyrrolidin-3-ylmethyl)-ben...)
Show SMILES O=S(=O)(NCC1CCN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C12H15N3O2S/c13-10-15-7-6-11(9-15)8-14-18(16,17)12-4-2-1-3-5-12/h1-5,11,14H,6-9H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50095489
PNG
(CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...)
Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
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
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n/an/a 230n/an/an/an/a5.5n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against papain at a pH 5.5

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095498
PNG
(CHEMBL8577 | N-(1-Cyano-azetidin-3-ylmethyl)-benza...)
Show SMILES O=C(NCC1CN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C12H13N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h1-5,10H,6-8H2,(H,14,16)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095488
PNG
(1,3-Dihydro-pyrrolo[3,4-b]quinoline-2-carbonitrile...)
Show SMILES N#CN1Cc2cc3ccccc3nc2C1
Show InChI InChI=1S/C12H9N3/c13-8-15-6-10-5-9-3-1-2-4-11(9)14-12(10)7-15/h1-5H,6-7H2
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n/an/a 280n/an/an/an/a7.0n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin K at pH 7

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095499
PNG
(Biphenyl-4-carboxylic acid (1-cyano-pyrrolidin-3-y...)
Show SMILES O=C(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O/c19-13-21-11-10-17(12-21)20-18(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,20,22)
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n/an/a 290n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095499
PNG
(Biphenyl-4-carboxylic acid (1-cyano-pyrrolidin-3-y...)
Show SMILES O=C(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O/c19-13-21-11-10-17(12-21)20-18(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,20,22)
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n/an/a 300n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095493
PNG
(CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...)
Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095488
PNG
(1,3-Dihydro-pyrrolo[3,4-b]quinoline-2-carbonitrile...)
Show SMILES N#CN1Cc2cc3ccccc3nc2C1
Show InChI InChI=1S/C12H9N3/c13-8-15-6-10-5-9-3-1-2-4-11(9)14-12(10)7-15/h1-5H,6-7H2
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n/an/a 340n/an/an/an/a5.5n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin K at pH 5.5

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095494
PNG
(CHEMBL8563 | N-(1-Cyano-pyrrolidin-3-ylmethyl)-ben...)
Show SMILES O=S(=O)(NCC1CCN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C12H15N3O2S/c13-10-15-7-6-11(9-15)8-14-18(16,17)12-4-2-1-3-5-12/h1-5,11,14H,6-9H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095488
PNG
(1,3-Dihydro-pyrrolo[3,4-b]quinoline-2-carbonitrile...)
Show SMILES N#CN1Cc2cc3ccccc3nc2C1
Show InChI InChI=1S/C12H9N3/c13-8-15-6-10-5-9-3-1-2-4-11(9)14-12(10)7-15/h1-5H,6-7H2
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n/an/a 360n/an/an/an/a5.5n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Effect of 10 mM of GSH on the inhibitory activity of compound against Cathepsin K, at pH 5.5

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095488
PNG
(1,3-Dihydro-pyrrolo[3,4-b]quinoline-2-carbonitrile...)
Show SMILES N#CN1Cc2cc3ccccc3nc2C1
Show InChI InChI=1S/C12H9N3/c13-8-15-6-10-5-9-3-1-2-4-11(9)14-12(10)7-15/h1-5H,6-7H2
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n/an/a 360n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K receptor using gelatinase assay

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095492
PNG
(CHEMBL440590 | N-(1-Cyano-pyrrolidin-3-yl)-benzami...)
Show SMILES O=C(NC1CCN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C12H13N3O/c13-9-15-7-6-11(8-15)14-12(16)10-4-2-1-3-5-10/h1-5,11H,6-8H2,(H,14,16)
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n/an/a 370n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095488
PNG
(1,3-Dihydro-pyrrolo[3,4-b]quinoline-2-carbonitrile...)
Show SMILES N#CN1Cc2cc3ccccc3nc2C1
Show InChI InChI=1S/C12H9N3/c13-8-15-6-10-5-9-3-1-2-4-11(9)14-12(10)7-15/h1-5H,6-7H2
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n/an/a 370n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095488
PNG
(1,3-Dihydro-pyrrolo[3,4-b]quinoline-2-carbonitrile...)
Show SMILES N#CN1Cc2cc3ccccc3nc2C1
Show InChI InChI=1S/C12H9N3/c13-8-15-6-10-5-9-3-1-2-4-11(9)14-12(10)7-15/h1-5H,6-7H2
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n/an/a 370n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against human cathepsin K

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095485
PNG
(Azetidine-1-carbonitrile | CHEMBL8123)
Show SMILES N#CN1CCC1
Show InChI InChI=1S/C4H6N2/c5-4-6-2-1-3-6/h1-3H2
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n/an/a 430n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095485
PNG
(Azetidine-1-carbonitrile | CHEMBL8123)
Show SMILES N#CN1CCC1
Show InChI InChI=1S/C4H6N2/c5-4-6-2-1-3-6/h1-3H2
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n/an/a 450n/an/an/an/a5.5n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin K at pH 5.5

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095488
PNG
(1,3-Dihydro-pyrrolo[3,4-b]quinoline-2-carbonitrile...)
Show SMILES N#CN1Cc2cc3ccccc3nc2C1
Show InChI InChI=1S/C12H9N3/c13-8-15-6-10-5-9-3-1-2-4-11(9)14-12(10)7-15/h1-5H,6-7H2
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n/an/a 450n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095485
PNG
(Azetidine-1-carbonitrile | CHEMBL8123)
Show SMILES N#CN1CCC1
Show InChI InChI=1S/C4H6N2/c5-4-6-2-1-3-6/h1-3H2
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n/an/a 480n/an/an/an/a5.5n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Effect of 10 mM of GSH on the inhibitory activity of compound against Cathepsin K, at pH 5.5

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095483
PNG
(3-Cyclohexylmethoxy-azetidine-1-carbonitrile | CHE...)
Show SMILES N#CN1CC(C1)OCC1CCCCC1
Show InChI InChI=1S/C11H18N2O/c12-9-13-6-11(7-13)14-8-10-4-2-1-3-5-10/h10-11H,1-8H2
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n/an/a 500n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095486
PNG
(3-Benzyloxy-azetidine-1-carbonitrile | CHEMBL8547)
Show SMILES N#CN1CC(C1)OCc1ccccc1
Show InChI InChI=1S/C11H12N2O/c12-9-13-6-11(7-13)14-8-10-4-2-1-3-5-10/h1-5,11H,6-8H2
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n/an/a 500n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095498
PNG
(CHEMBL8577 | N-(1-Cyano-azetidin-3-ylmethyl)-benza...)
Show SMILES O=C(NCC1CN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C12H13N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h1-5,10H,6-8H2,(H,14,16)
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n/an/a 650n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095489
PNG
(CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...)
Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
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
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n/an/a 750n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K receptor using bone resorption assay

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095499
PNG
(Biphenyl-4-carboxylic acid (1-cyano-pyrrolidin-3-y...)
Show SMILES O=C(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O/c19-13-21-11-10-17(12-21)20-18(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,20,22)
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n/an/a 850n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095485
PNG
(Azetidine-1-carbonitrile | CHEMBL8123)
Show SMILES N#CN1CCC1
Show InChI InChI=1S/C4H6N2/c5-4-6-2-1-3-6/h1-3H2
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n/an/a 880n/an/an/an/a7.0n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin K at pH 7

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
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 1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095490
PNG
(3-Benzyloxymethyl-pyrrolidine-1-carbonitrile | CHE...)
Show SMILES N#CN1CCC(COCc2ccccc2)C1
Show InChI InChI=1S/C13H16N2O/c14-11-15-7-6-13(8-15)10-16-9-12-4-2-1-3-5-12/h1-5,13H,6-10H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095489
PNG
(CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...)
Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
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
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095491
PNG
((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...)
Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1
Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K receptor using bone resorption assay

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
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 1.50E+3n/an/an/an/a5.5n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Effect of 10 mM of GSH on the inhibitory activity of compound against Cathepsin K, at pH 5.5

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095494
PNG
(CHEMBL8563 | N-(1-Cyano-pyrrolidin-3-ylmethyl)-ben...)
Show SMILES O=S(=O)(NCC1CCN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C12H15N3O2S/c13-10-15-7-6-11(9-15)8-14-18(16,17)12-4-2-1-3-5-12/h1-5,11,14H,6-9H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
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 1.63E+3n/an/an/an/a5.5n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin K at pH 5.5

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095492
PNG
(CHEMBL440590 | N-(1-Cyano-pyrrolidin-3-yl)-benzami...)
Show SMILES O=C(NC1CCN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C12H13N3O/c13-9-15-7-6-11(8-15)14-12(16)10-4-2-1-3-5-10/h1-5,11H,6-8H2,(H,14,16)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095485
PNG
(Azetidine-1-carbonitrile | CHEMBL8123)
Show SMILES N#CN1CCC1
Show InChI InChI=1S/C4H6N2/c5-4-6-2-1-3-6/h1-3H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095488
PNG
(1,3-Dihydro-pyrrolo[3,4-b]quinoline-2-carbonitrile...)
Show SMILES N#CN1Cc2cc3ccccc3nc2C1
Show InChI InChI=1S/C12H9N3/c13-8-15-6-10-5-9-3-1-2-4-11(9)14-12(10)7-15/h1-5H,6-7H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
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 2.30E+3n/an/an/an/a7.0n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin K at pH 7

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
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 3.40E+3n/an/an/an/a7.0n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Effect of 10 mM of GSH on the inhibitory activity against Cathepsin K, at pH 7

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
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 4.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095492
PNG
(CHEMBL440590 | N-(1-Cyano-pyrrolidin-3-yl)-benzami...)
Show SMILES O=C(NC1CCN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C12H13N3O/c13-9-15-7-6-11(8-15)14-12(16)10-4-2-1-3-5-10/h1-5,11H,6-8H2,(H,14,16)
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PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095488
PNG
(1,3-Dihydro-pyrrolo[3,4-b]quinoline-2-carbonitrile...)
Show SMILES N#CN1Cc2cc3ccccc3nc2C1
Show InChI InChI=1S/C12H9N3/c13-8-15-6-10-5-9-3-1-2-4-11(9)14-12(10)7-15/h1-5H,6-7H2
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n/an/a 1.14E+4n/an/an/an/a7.0n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Effect of 10 mM of GSH on the inhibitory activity against Cathepsin K, at pH 7

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095496
PNG
(CHEMBL8591 | N-(1-Cyano-pyrrolidin-2-ylmethyl)-ben...)
Show SMILES O=S(=O)(NCC1CCCN1C#N)c1ccccc1
Show InChI InChI=1S/C12H15N3O2S/c13-10-15-8-4-5-11(15)9-14-18(16,17)12-6-2-1-3-7-12/h1-3,6-7,11,14H,4-5,8-9H2
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n/an/a 1.15E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095496
PNG
(CHEMBL8591 | N-(1-Cyano-pyrrolidin-2-ylmethyl)-ben...)
Show SMILES O=S(=O)(NCC1CCCN1C#N)c1ccccc1
Show InChI InChI=1S/C12H15N3O2S/c13-10-15-8-4-5-11(15)9-14-18(16,17)12-6-2-1-3-7-12/h1-3,6-7,11,14H,4-5,8-9H2
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n/an/a 1.21E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095497
PNG
(CHEMBL8480 | N-(1-Cyano-pyrrolidin-2-ylmethyl)-ben...)
Show SMILES O=C(NCC1CCCN1C#N)c1ccccc1
Show InChI InChI=1S/C13H15N3O/c14-10-16-8-4-7-12(16)9-15-13(17)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-9H2,(H,15,17)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(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
PDB
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095497
PNG
(CHEMBL8480 | N-(1-Cyano-pyrrolidin-2-ylmethyl)-ben...)
Show SMILES O=C(NCC1CCCN1C#N)c1ccccc1
Show InChI InChI=1S/C13H15N3O/c14-10-16-8-4-7-12(16)9-15-13(17)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-9H2,(H,15,17)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095497
PNG
(CHEMBL8480 | N-(1-Cyano-pyrrolidin-2-ylmethyl)-ben...)
Show SMILES O=C(NCC1CCCN1C#N)c1ccccc1
Show InChI InChI=1S/C13H15N3O/c14-10-16-8-4-7-12(16)9-15-13(17)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-9H2,(H,15,17)
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n/an/a 7.50E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095484
PNG
(CHEMBL274120 | Diethyl-cyanamide)
Show SMILES CCN(CC)C#N
Show InChI InChI=1S/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095487
PNG
(CHEMBL8796 | Cyclohexanecarboxylic acid (1-cyano-a...)
Show SMILES O=C(NCC1CN(C1)C#N)C1CCCCC1
Show InChI InChI=1S/C12H19N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h10-11H,1-8H2,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/a7.0n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Effect of 10 mM of GSH on the inhibitory activity against Cathepsin K, at pH 7

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50095484
PNG
(CHEMBL274120 | Diethyl-cyanamide)
Show SMILES CCN(CC)C#N
Show InChI InChI=1S/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3
PDB
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50095484
PNG
(CHEMBL274120 | Diethyl-cyanamide)
Show SMILES CCN(CC)C#N
Show InChI InChI=1S/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3
PDB
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50095485
PNG
(Azetidine-1-carbonitrile | CHEMBL8123)
Show SMILES N#CN1CCC1
Show InChI InChI=1S/C4H6N2/c5-4-6-2-1-3-6/h1-3H2
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n/an/a>1.00E+5n/an/an/an/a7.0n/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Effect of 10 mM of GSH on the inhibitory activity against Cathepsin K, at pH 7

J Med Chem 44: 94-104 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%