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SMILES: CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2cc(Cl)ccc12

InChI Key: InChIKey=XGEOFLZCNAEENF-NRFANRHFSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 19591   
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
Procathepsin L


(Homo sapiens (Human))
BDBM19591
PNG
((2S)-N-[2-(5-chloro-2,3-dihydro-1H-indol-1-yl)ethy...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C24H30ClN3O2/c1-16(2)13-21(27-23(29)19-6-4-5-17(3)14-19)24(30)26-10-12-28-11-9-18-15-20(25)7-8-22(18)28/h4-8,14-16,21H,9-13H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1
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Article
PubMed
17n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19591
PNG
((2S)-N-[2-(5-chloro-2,3-dihydro-1H-indol-1-yl)ethy...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C24H30ClN3O2/c1-16(2)13-21(27-23(29)19-6-4-5-17(3)14-19)24(30)26-10-12-28-11-9-18-15-20(25)7-8-22(18)28/h4-8,14-16,21H,9-13H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1
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Article
PubMed
139n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM19591
PNG
((2S)-N-[2-(5-chloro-2,3-dihydro-1H-indol-1-yl)ethy...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C24H30ClN3O2/c1-16(2)13-21(27-23(29)19-6-4-5-17(3)14-19)24(30)26-10-12-28-11-9-18-15-20(25)7-8-22(18)28/h4-8,14-16,21H,9-13H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1
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Article
PubMed
196 -9.51n/an/an/an/an/a5.537



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair