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2 similar compounds to monomer 50374399

Compile data set for download or QSAR
Wt: 548.5
BDBM50374365
Wt: 482.5
BDBM50410976

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50374365,50410976   
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))
BDBM50374365
PNG
(CHEMBL209215)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C26H27F3N4O6/c1-2-7-18(20(34)23-33-32-22(38-23)19-8-6-15-37-19)30-24(36)25(13-4-3-5-14-25)31-21(35)16-9-11-17(12-10-16)39-26(27,28)29/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,30,36)(H,31,35)/t18-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50374365
PNG
(CHEMBL209215)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C26H27F3N4O6/c1-2-7-18(20(34)23-33-32-22(38-23)19-8-6-15-37-19)30-24(36)25(13-4-3-5-14-25)31-21(35)16-9-11-17(12-10-16)39-26(27,28)29/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,30,36)(H,31,35)/t18-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50410976
PNG
(CHEMBL379157)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C25H27FN4O5/c1-2-7-18(20(31)23-30-29-22(35-23)19-8-6-15-34-19)27-24(33)25(13-4-3-5-14-25)28-21(32)16-9-11-17(26)12-10-16/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,27,33)(H,28,32)/t18-/m0/s1
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19n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50410976
PNG
(CHEMBL379157)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C25H27FN4O5/c1-2-7-18(20(31)23-30-29-22(35-23)19-8-6-15-34-19)27-24(33)25(13-4-3-5-14-25)28-21(32)16-9-11-17(26)12-10-16/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,27,33)(H,28,32)/t18-/m0/s1
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140n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50374365
PNG
(CHEMBL209215)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C26H27F3N4O6/c1-2-7-18(20(34)23-33-32-22(38-23)19-8-6-15-37-19)30-24(36)25(13-4-3-5-14-25)31-21(35)16-9-11-17(12-10-16)39-26(27,28)29/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,30,36)(H,31,35)/t18-/m0/s1
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220n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50374365
PNG
(CHEMBL209215)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C26H27F3N4O6/c1-2-7-18(20(34)23-33-32-22(38-23)19-8-6-15-37-19)30-24(36)25(13-4-3-5-14-25)31-21(35)16-9-11-17(12-10-16)39-26(27,28)29/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,30,36)(H,31,35)/t18-/m0/s1
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220n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50374365
PNG
(CHEMBL209215)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C26H27F3N4O6/c1-2-7-18(20(34)23-33-32-22(38-23)19-8-6-15-37-19)30-24(36)25(13-4-3-5-14-25)31-21(35)16-9-11-17(12-10-16)39-26(27,28)29/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,30,36)(H,31,35)/t18-/m0/s1
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350n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50374365
PNG
(CHEMBL209215)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C26H27F3N4O6/c1-2-7-18(20(34)23-33-32-22(38-23)19-8-6-15-37-19)30-24(36)25(13-4-3-5-14-25)31-21(35)16-9-11-17(12-10-16)39-26(27,28)29/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,30,36)(H,31,35)/t18-/m0/s1
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350n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50410976
PNG
(CHEMBL379157)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C25H27FN4O5/c1-2-7-18(20(31)23-30-29-22(35-23)19-8-6-15-34-19)27-24(33)25(13-4-3-5-14-25)28-21(32)16-9-11-17(26)12-10-16/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,27,33)(H,28,32)/t18-/m0/s1
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950n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50374365
PNG
(CHEMBL209215)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C26H27F3N4O6/c1-2-7-18(20(34)23-33-32-22(38-23)19-8-6-15-37-19)30-24(36)25(13-4-3-5-14-25)31-21(35)16-9-11-17(12-10-16)39-26(27,28)29/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,30,36)(H,31,35)/t18-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50374365
PNG
(CHEMBL209215)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C26H27F3N4O6/c1-2-7-18(20(34)23-33-32-22(38-23)19-8-6-15-37-19)30-24(36)25(13-4-3-5-14-25)31-21(35)16-9-11-17(12-10-16)39-26(27,28)29/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,30,36)(H,31,35)/t18-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50410976
PNG
(CHEMBL379157)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(F)cc1)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C25H27FN4O5/c1-2-7-18(20(31)23-30-29-22(35-23)19-8-6-15-34-19)27-24(33)25(13-4-3-5-14-25)28-21(32)16-9-11-17(26)12-10-16/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,27,33)(H,28,32)/t18-/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair