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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50273219   
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 S


(Homo sapiens (Human))
BDBM50273219
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES COc1cc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(cc1OC)-c1ccccc1
Show InChI InChI=1S/C29H31N5O3/c1-36-24-14-21(20-6-4-3-5-7-20)23(15-25(24)37-2)33-28(35)22-18-31-26(16-30)34-27(22)32-17-19-8-10-29(11-9-19)12-13-29/h3-7,14-15,18-19H,8-13,17H2,1-2H3,(H,33,35)(H,31,32,34)
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n/an/a 24n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50273219
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES COc1cc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(cc1OC)-c1ccccc1
Show InChI InChI=1S/C29H31N5O3/c1-36-24-14-21(20-6-4-3-5-7-20)23(15-25(24)37-2)33-28(35)22-18-31-26(16-30)34-27(22)32-17-19-8-10-29(11-9-19)12-13-29/h3-7,14-15,18-19H,8-13,17H2,1-2H3,(H,33,35)(H,31,32,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50273219
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES COc1cc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(cc1OC)-c1ccccc1
Show InChI InChI=1S/C29H31N5O3/c1-36-24-14-21(20-6-4-3-5-7-20)23(15-25(24)37-2)33-28(35)22-18-31-26(16-30)34-27(22)32-17-19-8-10-29(11-9-19)12-13-29/h3-7,14-15,18-19H,8-13,17H2,1-2H3,(H,33,35)(H,31,32,34)
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Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair