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4 similar compounds to monomer 50406638

Compile data set for download or QSAR
Wt: 342.4
BDBM50052693
Purchase
Wt: 376.8
BDBM50406632
Wt: 468.3
BDBM50406633
Wt: 360.4
BDBM50406636

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50052693,50406632,50406633,50406636   
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
Papain


(Carica papaya)
BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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5.20E+4n/an/an/an/an/an/a6.8n/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Kinetic constant Apparent binding constant (Ki`) for the inhibition of papain conducted in 0.1 M phosphate, pH 6.8, at 30 degree C


J Med Chem 39: 3357-66 (1996)


Article DOI: 10.1021/jm950445b
BindingDB Entry DOI: 10.7270/Q2B56HTP
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50406632
PNG
(CHEMBL302897)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)OCCCl
Show InChI InChI=1S/C17H29ClN2O5/c1-10(2)5-7-19-15(21)12(9-11(3)4)20-16(22)13-14(25-13)17(23)24-8-6-18/h10-14H,5-9H2,1-4H3,(H,19,21)(H,20,22)/t12-,13-,14-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



State University of New York Health Science Center

Curated by ChEMBL


Assay Description
The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1)


J Med Chem 35: 2048-54 (1992)


Article DOI: 10.1021/jm00089a015
BindingDB Entry DOI: 10.7270/Q27M094H
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50406636
PNG
(CHEMBL294046)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)OCCF
Show InChI InChI=1S/C17H29FN2O5/c1-10(2)5-7-19-15(21)12(9-11(3)4)20-16(22)13-14(25-13)17(23)24-8-6-18/h10-14H,5-9H2,1-4H3,(H,19,21)(H,20,22)/t12-,13-,14-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



State University of New York Health Science Center

Curated by ChEMBL


Assay Description
The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1)


J Med Chem 35: 2048-54 (1992)


Article DOI: 10.1021/jm00089a015
BindingDB Entry DOI: 10.7270/Q27M094H
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of cathepsin G processing in human U937 cells by densitometry


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50406636
PNG
(CHEMBL294046)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)OCCF
Show InChI InChI=1S/C17H29FN2O5/c1-10(2)5-7-19-15(21)12(9-11(3)4)20-16(22)13-14(25-13)17(23)24-8-6-18/h10-14H,5-9H2,1-4H3,(H,19,21)(H,20,22)/t12-,13-,14-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



State University of New York Health Science Center

Curated by ChEMBL


Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2)


J Med Chem 35: 2048-54 (1992)


Article DOI: 10.1021/jm00089a015
BindingDB Entry DOI: 10.7270/Q27M094H
More data for this
Ligand-Target Pair
Cathepsin G


(Mus musculus)
BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Myeloblastin


(Mus musculus)
BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of proteinase-3 activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50406632
PNG
(CHEMBL302897)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)OCCCl
Show InChI InChI=1S/C17H29ClN2O5/c1-10(2)5-7-19-15(21)12(9-11(3)4)20-16(22)13-14(25-13)17(23)24-8-6-18/h10-14H,5-9H2,1-4H3,(H,19,21)(H,20,22)/t12-,13-,14-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



State University of New York Health Science Center

Curated by ChEMBL


Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2)


J Med Chem 35: 2048-54 (1992)


Article DOI: 10.1021/jm00089a015
BindingDB Entry DOI: 10.7270/Q27M094H
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50406633
PNG
(CHEMBL64647)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)OCCI
Show InChI InChI=1S/C17H29IN2O5/c1-10(2)5-7-19-15(21)12(9-11(3)4)20-16(22)13-14(25-13)17(23)24-8-6-18/h10-14H,5-9H2,1-4H3,(H,19,21)(H,20,22)/t12-,13-,14-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



State University of New York Health Science Center

Curated by ChEMBL


Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2)


J Med Chem 35: 2048-54 (1992)


Article DOI: 10.1021/jm00089a015
BindingDB Entry DOI: 10.7270/Q27M094H
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



State University of New York Health Science Center

Curated by ChEMBL


Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2)


J Med Chem 35: 2048-54 (1992)


Article DOI: 10.1021/jm00089a015
BindingDB Entry DOI: 10.7270/Q27M094H
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



State University of New York Health Science Center

Curated by ChEMBL


Assay Description
The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1)


J Med Chem 35: 2048-54 (1992)


Article DOI: 10.1021/jm00089a015
BindingDB Entry DOI: 10.7270/Q27M094H
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair