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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 19782   
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))
BDBM19782
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C24H28N4O6S/c1-15(2)12-18(28-24(31)21-13-17-8-4-5-9-20(17)34-21)23(30)27-16(3)19(29)14-26-35(32,33)22-10-6-7-11-25-22/h4-11,13,15-16,18,26H,12,14H2,1-3H3,(H,27,30)(H,28,31)/t16-,18-/m0/s1
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n/an/a 7.5n/an/an/an/a5.522



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


Bioorg Med Chem Lett 17: 22-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.102
BindingDB Entry DOI: 10.7270/Q2NZ85XC
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19782
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C24H28N4O6S/c1-15(2)12-18(28-24(31)21-13-17-8-4-5-9-20(17)34-21)23(30)27-16(3)19(29)14-26-35(32,33)22-10-6-7-11-25-22/h4-11,13,15-16,18,26H,12,14H2,1-3H3,(H,27,30)(H,28,31)/t16-,18-/m0/s1
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


Bioorg Med Chem Lett 17: 22-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.102
BindingDB Entry DOI: 10.7270/Q2NZ85XC
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM19782
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C24H28N4O6S/c1-15(2)12-18(28-24(31)21-13-17-8-4-5-9-20(17)34-21)23(30)27-16(3)19(29)14-26-35(32,33)22-10-6-7-11-25-22/h4-11,13,15-16,18,26H,12,14H2,1-3H3,(H,27,30)(H,28,31)/t16-,18-/m0/s1
PDB
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 59n/an/an/an/a5.522



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


Bioorg Med Chem Lett 17: 22-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.102
BindingDB Entry DOI: 10.7270/Q2NZ85XC
More data for this
Ligand-Target Pair