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Compile Data Set for Download or QSAR

Found 246 hits with Last Name = 'nonomura' and Initial = 'k'   
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))		BDBM50223939
PNG
(6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1ccc(Cc2cc3cnc(nc3n2CC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C20H22N4O/c1-20(2,3)13-24-16(9-14-5-7-17(25-4)8-6-14)10-15-12-22-18(11-21)23-19(15)24/h5-8,10,12H,9,13H2,1-4H3
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223914
PNG
(6-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-7-neo...)
Show SMILES CC(C)(C)Cn1c(CN2CCN(CC2)c2ccc(F)cc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C23H27FN6/c1-23(2,3)16-30-20(12-17-14-26-21(13-25)27-22(17)30)15-28-8-10-29(11-9-28)19-6-4-18(24)5-7-19/h4-7,12,14H,8-11,15-16H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223921
PNG
(6-(4-(benzo[d][1,3]dioxol-5-yl)benzyl)-7-neopentyl...)
Show SMILES CC(C)(C)Cn1c(Cc2ccc(cc2)-c2ccc3OCOc3c2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C26H24N4O2/c1-26(2,3)15-30-21(11-20-14-28-24(13-27)29-25(20)30)10-17-4-6-18(7-5-17)19-8-9-22-23(12-19)32-16-31-22/h4-9,11-12,14H,10,15-16H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223935
PNG
(CHEMBL399842 | N-(4-((2-cyano-7-neopentyl-7H-pyrro...)
Show SMILES CC(C)(C)Cn1c(Cc2ccc(NS(=O)(=O)CC(F)(F)F)cc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C21H22F3N5O2S/c1-20(2,3)12-29-17(9-15-11-26-18(10-25)27-19(15)29)8-14-4-6-16(7-5-14)28-32(30,31)13-21(22,23)24/h4-7,9,11,28H,8,12-13H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223915
PNG
(6-benzyl-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2...)
Show SMILES CC(C)(C)Cn1c(Cc2ccccc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C19H20N4/c1-19(2,3)13-23-16(9-14-7-5-4-6-8-14)10-15-12-21-17(11-20)22-18(15)23/h4-8,10,12H,9,13H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223925
PNG
(6-(4-((4-methylpiperazin-1-yl)methyl)benzyl)-7-cyc...)
Show SMILES CN1CCN(Cc2ccc(Cc3cc4cnc(nc4n3C3CCCCC3)C#N)cc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30-11-13-31(14-12-30)19-21-9-7-20(8-10-21)15-24-16-22-18-28-25(17-27)29-26(22)32(24)23-5-3-2-4-6-23/h7-10,16,18,23H,2-6,11-15,19H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223919
PNG
(7-(2,2-dimethylpropyl)-6-[(5-fluoro-2-oxospiro[ind...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)C3(CCNCC3)c3cc(F)ccc23)cc2cnc(nc12)C#N
Show InChI InChI=1S/C25H27FN6O/c1-24(2,3)15-32-18(10-16-13-29-21(12-27)30-22(16)32)14-31-20-5-4-17(26)11-19(20)25(23(31)33)6-8-28-9-7-25/h4-5,10-11,13,28H,6-9,14-15H2,1-3H3
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n/an/a 1.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50252500
PNG
(6-(4-chlorobenzyl)-7-(3,3-dimethylbutyl)-7H-pyrrol...)
Show SMILES CC(C)(C)CCn1c(Cc2ccc(Cl)cc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C20H21ClN4/c1-20(2,3)8-9-25-17(10-14-4-6-16(21)7-5-14)11-15-13-23-18(12-22)24-19(15)25/h4-7,11,13H,8-10H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50251889
PNG
(4-((2-cyano-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d...)
Show SMILES NC(=O)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C23H25N5O2/c24-13-21-26-14-18-12-19(15-30-20-8-6-17(7-9-20)22(25)29)28(23(18)27-21)11-10-16-4-2-1-3-5-16/h6-9,12,14,16H,1-5,10-11,15H2,(H2,25,29)
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223910
PNG
(6-(4-chlorobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1
Show InChI InChI=1S/C20H19ClN4/c21-16-8-6-14(7-9-16)10-18-11-15-13-23-19(12-22)24-20(15)25(18)17-4-2-1-3-5-17/h6-9,11,13,17H,1-5,10H2
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n/an/a 2.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223911
PNG
(7-neopentyl-6-((pyridin-4-yloxy)methyl)-7H-pyrrolo...)
Show SMILES CC(C)(C)Cn1c(COc2ccncc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C18H19N5O/c1-18(2,3)12-23-14(11-24-15-4-6-20-7-5-15)8-13-10-21-16(9-19)22-17(13)23/h4-8,10H,11-12H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376511
PNG
(CHEMBL261511)
Show SMILES CC(C)(C)CNc1nc(ncc1C#CCN1CCc2ccccc2C1)C#N
Show InChI InChI=1S/C22H25N5/c1-22(2,3)16-25-21-18(14-24-20(13-23)26-21)9-6-11-27-12-10-17-7-4-5-8-19(17)15-27/h4-5,7-8,14H,10-12,15-16H2,1-3H3,(H,24,25,26)
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n/an/a 3.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223920
PNG
(6-(4-morpholinobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3...)
Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)N3CCOCC3)n(C3CCCCC3)c2n1
Show InChI InChI=1S/C24H27N5O/c25-16-23-26-17-19-15-22(29(24(19)27-23)21-4-2-1-3-5-21)14-18-6-8-20(9-7-18)28-10-12-30-13-11-28/h6-9,15,17,21H,1-5,10-14H2
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n/an/a 3.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376500
PNG
(CHEMBL261700)
Show SMILES CC(C)(C)CN(Cc1ccc(cc1)C#CCN1CCC(CC1)N1CCCCC1)c1ccnc(n1)C#N
Show InChI InChI=1S/C30H40N6/c1-30(2,3)24-36(29-13-16-32-28(22-31)33-29)23-26-11-9-25(10-12-26)8-7-17-34-20-14-27(15-21-34)35-18-5-4-6-19-35/h9-13,16,27H,4-6,14-15,17-21,23-24H2,1-3H3
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n/an/a 3.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376507
PNG
(CHEMBL429147)
Show SMILES CC(C)(C)CNc1nc(ncc1C#CCN1CCN(CC1)S(=O)(=O)CCCCl)C#N
Show InChI InChI=1S/C20H29ClN6O2S/c1-20(2,3)16-24-19-17(15-23-18(14-22)25-19)6-4-8-26-9-11-27(12-10-26)30(28,29)13-5-7-21/h15H,5,7-13,16H2,1-3H3,(H,23,24,25)
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n/an/a 3.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376503
PNG
(CHEMBL261516)
Show SMILES CN1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(n3)C#N)cc2)CC1
Show InChI InChI=1S/C25H32N6/c1-25(2,3)20-31(24-11-12-27-23(18-26)28-24)19-22-9-7-21(8-10-22)6-5-13-30-16-14-29(4)15-17-30/h7-12H,13-17,19-20H2,1-4H3
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n/an/a 3.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223940
PNG
(6-((4,5-dichloro-1H-imidazol-1-yl)methyl)-7-neopen...)
Show SMILES CC(C)(C)Cn1c(Cn2cnc(Cl)c2Cl)cc2cnc(nc12)C#N
Show InChI InChI=1S/C16H16Cl2N6/c1-16(2,3)8-24-11(7-23-9-21-13(17)14(23)18)4-10-6-20-12(5-19)22-15(10)24/h4,6,9H,7-8H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223936
PNG
(6-((5,5-dimethyl-2,4-dioxooxazolidin-3-yl)methyl)-...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)OC(C)(C)C2=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C18H21N5O3/c1-17(2,3)10-23-12(6-11-8-20-13(7-19)21-14(11)23)9-22-15(24)18(4,5)26-16(22)25/h6,8H,9-10H2,1-5H3
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223941
PNG
(6-(4-((diethylamino)methyl)benzyl)-7-cyclohexyl-7H...)
Show SMILES CCN(CC)Cc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H31N5/c1-3-29(4-2)18-20-12-10-19(11-13-20)14-23-15-21-17-27-24(16-26)28-25(21)30(23)22-8-6-5-7-9-22/h10-13,15,17,22H,3-9,14,18H2,1-2H3
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n/an/a 4.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376504
PNG
(CHEMBL258640)
Show SMILES CC(C)(C)CN(Cc1ccc(Cn2cncn2)cc1)c1ccnc(n1)C#N
Show InChI InChI=1S/C20H23N7/c1-20(2,3)13-26(19-8-9-23-18(10-21)25-19)11-16-4-6-17(7-5-16)12-27-15-22-14-24-27/h4-9,14-15H,11-13H2,1-3H3
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n/an/a 4.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223937
PNG
(6-((1H-1,2,3-triazol-1-yl)methyl)-7-neopentyl-7H-p...)
Show SMILES CC(C)(C)Cn1c(Cn2ccnn2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C15H17N7/c1-15(2,3)10-22-12(9-21-5-4-18-20-21)6-11-8-17-13(7-16)19-14(11)22/h4-6,8H,9-10H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM25138
PNG
(2-cyano-pyrropyrimidine, 7d | 7-(2-cyclopentylethy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1
Show InChI InChI=1S/C27H32N6O2/c1-20(34)31-12-14-32(15-13-31)23-6-8-25(9-7-23)35-19-24-16-22-18-29-26(17-28)30-27(22)33(24)11-10-21-4-2-3-5-21/h6-9,16,18,21H,2-5,10-15,19H2,1H3
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n/an/a 5n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...

J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50223918
PNG
(6-((1H-imidazol-1-yl)methyl)-7-neopentyl-7H-pyrrol...)
Show SMILES CC(C)(C)Cn1c(Cn2ccnc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C16H18N6/c1-16(2,3)10-22-13(9-21-5-4-18-11-21)6-12-8-19-14(7-17)20-15(12)22/h4-6,8,11H,9-10H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay

Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50252502
PNG
(6-(4-chlorobenzyl)-7-(cyclohexylmethyl)-7H-pyrrolo...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C21H21ClN4/c22-18-8-6-15(7-9-18)10-19-11-17-13-24-20(12-23)25-21(17)26(19)14-16-4-2-1-3-5-16/h6-9,11,13,16H,1-5,10,14H2
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50251887
PNG
(3-(3-((2-cyano-7-(2-cyclohexylethyl)-7H-pyrrolo[2,...)
Show SMILES OC(=O)CCc1cccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c1
Show InChI InChI=1S/C25H28N4O3/c26-15-23-27-16-20-14-21(17-32-22-8-4-7-19(13-22)9-10-24(30)31)29(25(20)28-23)12-11-18-5-2-1-3-6-18/h4,7-8,13-14,16,18H,1-3,5-6,9-12,17H2,(H,30,31)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50252656
PNG
(7-(2-cyclohexylethyl)-6-((pyridin-4-yloxy)methyl)-...)
Show SMILES N#Cc1ncc2cc(CSc3ccncc3)n(CCC3CCCCC3)c2n1
Show InChI InChI=1S/C21H23N5S/c22-13-20-24-14-17-12-18(15-27-19-6-9-23-10-7-19)26(21(17)25-20)11-8-16-4-2-1-3-5-16/h6-7,9-10,12,14,16H,1-5,8,11,15H2
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376502
PNG
(CHEMBL410520)
Show SMILES CC(=O)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(n3)C#N)cc2)CC1
Show InChI InChI=1S/C26H32N6O/c1-21(33)31-16-14-30(15-17-31)13-5-6-22-7-9-23(10-8-22)19-32(20-26(2,3)4)25-11-12-28-24(18-27)29-25/h7-12H,13-17,19-20H2,1-4H3
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n/an/a 6.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50252543
PNG
(6-(4-chlorobenzyl)-7-(2-cyclopentylethyl)-7H-pyrro...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1
Show InChI InChI=1S/C21H21ClN4/c22-18-7-5-16(6-8-18)11-19-12-17-14-24-20(13-23)25-21(17)26(19)10-9-15-3-1-2-4-15/h5-8,12,14-15H,1-4,9-11H2
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50251888
PNG
(3-((2-cyano-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d...)
Show SMILES NC(=O)c1cccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c1
Show InChI InChI=1S/C23H25N5O2/c24-13-21-26-14-18-11-19(15-30-20-8-4-7-17(12-20)22(25)29)28(23(18)27-21)10-9-16-5-2-1-3-6-16/h4,7-8,11-12,14,16H,1-3,5-6,9-10,15H2,(H2,25,29)
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376508
PNG
(CHEMBL261455)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC#Cc2cnc(nc2NCC(C)(C)C)C#N)CC1
Show InChI InChI=1S/C24H30N6O3S/c1-24(2,3)18-27-23-19(17-26-22(16-25)28-23)6-5-11-29-12-14-30(15-13-29)34(31,32)21-9-7-20(33-4)8-10-21/h7-10,17H,11-15,18H2,1-4H3,(H,26,27,28)
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n/an/a 7.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376498
PNG
(CHEMBL259939)
Show SMILES CN1CCN(CC1)c1ccc(CC#Cc2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C24H30N6/c1-24(2,3)18-27-23-20(17-26-22(16-25)28-23)7-5-6-19-8-10-21(11-9-19)30-14-12-29(4)13-15-30/h8-11,17H,6,12-15,18H2,1-4H3,(H,26,27,28)
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n/an/a 7.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376509
PNG
(CHEMBL408562)
Show SMILES CC(C)(C)CNc1nc(ncc1C#CCn1cnc(Cl)c1Cl)C#N
Show InChI InChI=1S/C16H16Cl2N6/c1-16(2,3)9-21-15-11(8-20-12(7-19)23-15)5-4-6-24-10-22-13(17)14(24)18/h8,10H,6,9H2,1-3H3,(H,20,21,23)
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n/an/a 7.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376501
PNG
(CHEMBL408974)
Show SMILES CC(C)(C)CN(Cc1ccc(cc1)C#CCN1CCCCC1)c1ccnc(n1)C#N
Show InChI InChI=1S/C25H31N5/c1-25(2,3)20-30(24-13-14-27-23(18-26)28-24)19-22-11-9-21(10-12-22)8-7-17-29-15-5-4-6-16-29/h9-14H,4-6,15-17,19-20H2,1-3H3
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n/an/a 7.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50251942
PNG
(CHEMBL520427 | N-(4-((2-cyano-7-(2-cyclohexylethyl...)
Show SMILES CC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C24H27N5O2/c1-17(30)27-20-7-9-22(10-8-20)31-16-21-13-19-15-26-23(14-25)28-24(19)29(21)12-11-18-5-3-2-4-6-18/h7-10,13,15,18H,2-6,11-12,16H2,1H3,(H,27,30)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376499
PNG
(CHEMBL263409)
Show SMILES CC(C)(C)CN(Cc1ccc(cc1)C#CCn1cncn1)c1ccnc(n1)C#N
Show InChI InChI=1S/C22H23N7/c1-22(2,3)15-28(21-10-11-25-20(13-23)27-21)14-19-8-6-18(7-9-19)5-4-12-29-17-24-16-26-29/h6-11,16-17H,12,14-15H2,1-3H3
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n/an/a 8.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376510
PNG
(CHEMBL261673)
Show SMILES CC(C)(C)CNc1nc(ncc1C#CCOc1cccnc1)C#N
Show InChI InChI=1S/C18H19N5O/c1-18(2,3)13-22-17-14(11-21-16(10-19)23-17)6-5-9-24-15-7-4-8-20-12-15/h4,7-8,11-12H,9,13H2,1-3H3,(H,21,22,23)
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n/an/a 8.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM25136
PNG
(2-cyano-pyrropyrimidine, 7b | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1F
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)26-8-7-24(16-25(26)29)37-19-23-15-22-18-31-27(17-30)32-28(22)35(23)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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n/an/a 9n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...

J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM25134
PNG
(2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM25134
PNG
(2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3
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n/an/a 9n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...

J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM25141
PNG
(2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1
Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3
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n/an/a 10n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...

J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50376512
PNG
(CHEMBL261513)
Show SMILES CC(C)(C)CNc1nc(ncc1C#CCN1Cc2ccccc2C1)C#N
Show InChI InChI=1S/C21H23N5/c1-21(2,3)15-24-20-16(12-23-19(11-22)25-20)9-6-10-26-13-17-7-4-5-8-18(17)14-26/h4-5,7-8,12H,10,13-15H2,1-3H3,(H,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay

Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))		BDBM25134
PNG
(2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3
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n/an/a 10n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...

J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50252654
PNG
(7-(2-cyclohexylethyl)-6-(phenoxymethyl)-7H-pyrrolo...)
Show SMILES N#Cc1ncc2cc(COc3ccccc3)n(CCC3CCCCC3)c2n1
Show InChI InChI=1S/C22H24N4O/c23-14-21-24-15-18-13-19(16-27-20-9-5-2-6-10-20)26(22(18)25-21)12-11-17-7-3-1-4-8-17/h2,5-6,9-10,13,15,17H,1,3-4,7-8,11-12,16H2
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM25137
PNG
(2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3
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n/an/a 11n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...

J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50252655
PNG
(7-(2-cyclohexylethyl)-6-((pyridin-2-yloxy)methyl)-...)
Show SMILES N#Cc1ncc2cc(COc3ccccn3)n(CCC3CCCCC3)c2n1
Show InChI InChI=1S/C21H23N5O/c22-13-19-24-14-17-12-18(15-27-20-8-4-5-10-23-20)26(21(17)25-19)11-9-16-6-2-1-3-7-16/h4-5,8,10,12,14,16H,1-3,6-7,9,11,15H2
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50252036
PNG
(CHEMBL481169 | N-(4-((2-cyano-7-(2-cyclohexylethyl...)
Show SMILES CCC(=O)Nc1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H29N5O2/c1-2-24(31)28-20-8-10-22(11-9-20)32-17-21-14-19-16-27-23(15-26)29-25(19)30(21)13-12-18-6-4-3-5-7-18/h8-11,14,16,18H,2-7,12-13,17H2,1H3,(H,28,31)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)		BDBM50223929
PNG
(7-(2,2-Dimethyl-propyl)-6-(3-methyl-2,4-dioxo-1,3,...)
Show SMILES CN1C(=O)NC2(CCN(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)CC2)C1=O
Show InChI InChI=1S/C21H27N7O2/c1-20(2,3)13-28-15(9-14-11-23-16(10-22)24-17(14)28)12-27-7-5-21(6-8-27)18(29)26(4)19(30)25-21/h9,11H,5-8,12-13H2,1-4H3,(H,25,30)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay

J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50252038
PNG
(6-((4-(1-acetyl-1,2,3,6-tetrahydropyridin-4-yl)phe...)
Show SMILES CC(=O)N1CCC(=CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 |c:6|
Show InChI InChI=1S/C29H33N5O2/c1-21(35)33-14-12-24(13-15-33)23-7-9-27(10-8-23)36-20-26-17-25-19-31-28(18-30)32-29(25)34(26)16-11-22-5-3-2-4-6-22/h7-10,12,17,19,22H,2-6,11,13-16,20H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin S


(Mus musculus (Mouse))		BDBM25135
PNG
(2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1
Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3
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n/an/a 14n/an/an/an/a7.022



Novartis



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...

J Med Chem 51: 5502-5 (2008)


Article DOI: 10.1021/jm800839j
BindingDB Entry DOI: 10.7270/Q2125QZR
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50252037
PNG
(6-((4-(1-acetylpiperidin-4-yl)phenoxy)methyl)-7-(2...)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C29H35N5O2/c1-21(35)33-14-12-24(13-15-33)23-7-9-27(10-8-23)36-20-26-17-25-19-31-28(18-30)32-29(25)34(26)16-11-22-5-3-2-4-6-22/h7-10,17,19,22,24H,2-6,11-16,20H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay

Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
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