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7 similar compounds to monomer 50138878

Compile data set for download or QSAR
Wt: 354.4
BDBM50139480		Wt: 436.6
BDBM50138843		Wt: 340.4
BDBM50138856		Wt: 396.5
BDBM50138857		Wt: 396.5
BDBM50138859
Wt: 382.5
BDBM50138860		Wt: 354.4
BDBM50138873

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50139480,50138843,50138856,50138857,50138859,50138860,50138873   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cathepsin K


(Homo sapiens (Human))		BDBM50138843
PNG
(CHEMBL351552 | {(S)-1-Cyclohexylmethyl-2-oxo-2-[(t...)
Show SMILES CC(C)C(OC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1cccs1)C(C)C
Show InChI InChI=1S/C23H36N2O4S/c1-15(2)21(16(3)4)29-23(28)25-19(13-17-9-6-5-7-10-17)20(26)22(27)24-14-18-11-8-12-30-18/h8,11-12,15-17,19,21H,5-7,9-10,13-14H2,1-4H3,(H,24,27)(H,25,28)/t19-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of cysteine protease cathepsin K of human

J Med Chem 47: 588-99 (2004)


Article DOI: 10.1021/jm030373l
BindingDB Entry DOI: 10.7270/Q29S1QF7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50138856
PNG
(CHEMBL156373 | {2-Oxo-2-[(thiophen-2-ylmethyl)-car...)
Show SMILES CC(C)C(OC(=O)NCC(=O)C(=O)NCc1cccs1)C(C)C
Show InChI InChI=1S/C16H24N2O4S/c1-10(2)14(11(3)4)22-16(21)18-9-13(19)15(20)17-8-12-6-5-7-23-12/h5-7,10-11,14H,8-9H2,1-4H3,(H,17,20)(H,18,21)
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n/an/a 1.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of cysteine protease cathepsin K of human

J Med Chem 47: 588-99 (2004)


Article DOI: 10.1021/jm030373l
BindingDB Entry DOI: 10.7270/Q29S1QF7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50138857
PNG
(CHEMBL347137 | [(S)-2-Methyl-1-(thiophen-2-ylmethy...)
Show SMILES CCC(C)[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C20H32N2O4S/c1-7-14(6)16(22-20(25)26-18(12(2)3)13(4)5)17(23)19(24)21-11-15-9-8-10-27-15/h8-10,12-14,16,18H,7,11H2,1-6H3,(H,21,24)(H,22,25)/t14?,16-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of cysteine protease cathepsin K of human

J Med Chem 47: 588-99 (2004)


Article DOI: 10.1021/jm030373l
BindingDB Entry DOI: 10.7270/Q29S1QF7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50139480
PNG
((S)-tert-butyl 1,2-dioxo-1-(thiophen-2-ylmethylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C17H26N2O4S/c1-5-6-9-13(19-16(22)23-17(2,3)4)14(20)15(21)18-11-12-8-7-10-24-12/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,18,21)(H,19,22)/t13-/m0/s1
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n/an/a 3.39E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K

Eur J Med Chem 45: 667-81 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.010
BindingDB Entry DOI: 10.7270/Q29C6ZP1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50138859
PNG
(CHEMBL157430 | [(S)-3-Methyl-1-(thiophen-2-ylmethy...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C20H32N2O4S/c1-12(2)10-16(22-20(25)26-18(13(3)4)14(5)6)17(23)19(24)21-11-15-8-7-9-27-15/h7-9,12-14,16,18H,10-11H2,1-6H3,(H,21,24)(H,22,25)/t16-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of cysteine protease cathepsin K of human

J Med Chem 47: 588-99 (2004)


Article DOI: 10.1021/jm030373l
BindingDB Entry DOI: 10.7270/Q29S1QF7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50138873
PNG
(CHEMBL433890 | {(S)-1-Methyl-2-oxo-2-[(thiophen-2-...)
Show SMILES CC(C)C(OC(=O)N[C@@H](C)C(=O)C(=O)NCc1cccs1)C(C)C
Show InChI InChI=1S/C17H26N2O4S/c1-10(2)15(11(3)4)23-17(22)19-12(5)14(20)16(21)18-9-13-7-6-8-24-13/h6-8,10-12,15H,9H2,1-5H3,(H,18,21)(H,19,22)/t12-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of cysteine protease cathepsin K of human

J Med Chem 47: 588-99 (2004)


Article DOI: 10.1021/jm030373l
BindingDB Entry DOI: 10.7270/Q29S1QF7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50139480
PNG
((S)-tert-butyl 1,2-dioxo-1-(thiophen-2-ylmethylami...)
Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C17H26N2O4S/c1-5-6-9-13(19-16(22)23-17(2,3)4)14(20)15(21)18-11-12-8-7-10-24-12/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,18,21)(H,19,22)/t13-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against human cathepsin K

Bioorg Med Chem Lett 14: 719-22 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.029
BindingDB Entry DOI: 10.7270/Q2QV3KX1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50138860
PNG
(CHEMBL156832 | [(S)-2-Methyl-1-(thiophen-2-ylmethy...)
Show SMILES CC(C)C(OC(=O)N[C@@H](C(C)C)C(=O)C(=O)NCc1cccs1)C(C)C
Show InChI InChI=1S/C19H30N2O4S/c1-11(2)15(21-19(24)25-17(12(3)4)13(5)6)16(22)18(23)20-10-14-8-7-9-26-14/h7-9,11-13,15,17H,10H2,1-6H3,(H,20,23)(H,21,24)/t15-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of cysteine protease cathepsin K of human

J Med Chem 47: 588-99 (2004)


Article DOI: 10.1021/jm030373l
BindingDB Entry DOI: 10.7270/Q29S1QF7
More data for this
Ligand-Target Pair