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4 similar compounds to monomer 50304795

Wt: 366.4
BDBM50304793		Wt: 456.5
BDBM50304796		Wt: 422.5
BDBM50304797		Wt: 382.4
BDBM50335279

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50304793,50304796,50304797,50335279   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cathepsin K


(Homo sapiens (human))		BDBM50304793
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
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PubMed
 0.140n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assay

J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))		BDBM50335279
PNG
(CHEMBL1651353 | N-(Benzyloxycarbonyl)-tyrosyl-meth...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O4/c1-23(14-21)24(2)19(26)18(12-15-8-10-17(25)11-9-15)22-20(27)28-13-16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3,(H,22,27)/t18-/m0/s1
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PubMed
 0.160n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assay

J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))		BDBM50304793
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
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PubMed
 0.160n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay

J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))		BDBM50335279
PNG
(CHEMBL1651353 | N-(Benzyloxycarbonyl)-tyrosyl-meth...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O4/c1-23(14-21)24(2)19(26)18(12-15-8-10-17(25)11-9-15)22-20(27)28-13-16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3,(H,22,27)/t18-/m0/s1
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PubMed
 0.360n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay

J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)		BDBM50335279
PNG
(CHEMBL1651353 | N-(Benzyloxycarbonyl)-tyrosyl-meth...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O4/c1-23(14-21)24(2)19(26)18(12-15-8-10-17(25)11-9-15)22-20(27)28-13-16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3,(H,22,27)/t18-/m0/s1
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PubMed
 0.380n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay

J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50304793
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
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PubMed
 0.510n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay

J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)		BDBM50304793
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
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PubMed
 0.680n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay

J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50335279
PNG
(CHEMBL1651353 | N-(Benzyloxycarbonyl)-tyrosyl-meth...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O4/c1-23(14-21)24(2)19(26)18(12-15-8-10-17(25)11-9-15)22-20(27)28-13-16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3,(H,22,27)/t18-/m0/s1
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PubMed
 0.860n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S after 30 mins by spectrophotometric assay

J Med Chem 54: 396-400 (2011)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50304793
PNG
((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
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PubMed
 3.90n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry

Bioorg Med Chem Lett 20: 252-5 (2010)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50304796
PNG
((S)-benzyl 1-(2-cyano-1-methyl-2-phenethylhydrazin...)
Show SMILES CN(N(CCc1ccccc1)C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H28N4O3/c1-30(31(21-28)18-17-22-11-5-2-6-12-22)26(32)25(19-23-13-7-3-8-14-23)29-27(33)34-20-24-15-9-4-10-16-24/h2-16,25H,17-20H2,1H3,(H,29,33)/t25-/m0/s1
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PubMed
 6.30n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry

Bioorg Med Chem Lett 20: 252-5 (2010)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50304797
PNG
((S)-benzyl 1-(2-cyano-1-methyl-2-pentylhydrazinyl)...)
Show SMILES CCCCCN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H30N4O3/c1-3-4-11-16-28(19-25)27(2)23(29)22(17-20-12-7-5-8-13-20)26-24(30)31-18-21-14-9-6-10-15-21/h5-10,12-15,22H,3-4,11,16-18H2,1-2H3,(H,26,30)/t22-/m0/s1
PDB
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PubMed
 10n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry

Bioorg Med Chem Lett 20: 252-5 (2010)

More data for this
Ligand-Target Pair