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SMILES: CC(C)(C)CN(Cc1ccccc1)c1ccnc(n1)C#N

InChI Key: InChIKey=OBQRXUXIAHCBPH-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50376506   
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))
BDBM50376506
PNG
(CHEMBL261125)
Show SMILES CC(C)(C)CN(Cc1ccccc1)c1ccnc(n1)C#N
Show InChI InChI=1S/C17H20N4/c1-17(2,3)13-21(12-14-7-5-4-6-8-14)16-9-10-19-15(11-18)20-16/h4-10H,12-13H2,1-3H3
PDB
MMDB

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Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50376506
PNG
(CHEMBL261125)
Show SMILES CC(C)(C)CN(Cc1ccccc1)c1ccnc(n1)C#N
Show InChI InChI=1S/C17H20N4/c1-17(2,3)13-21(12-14-7-5-4-6-8-14)16-9-10-19-15(11-18)20-16/h4-10H,12-13H2,1-3H3
PDB
MMDB

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PC cid
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Article
PubMed
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 S by fluorescence assay


Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50376506
PNG
(CHEMBL261125)
Show SMILES CC(C)(C)CN(Cc1ccccc1)c1ccnc(n1)C#N
Show InChI InChI=1S/C17H20N4/c1-17(2,3)13-21(12-14-7-5-4-6-8-14)16-9-10-19-15(11-18)20-16/h4-10H,12-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 L by fluorescence assay


Bioorg Med Chem Lett 18: 2599-603 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.036
BindingDB Entry DOI: 10.7270/Q2HT2Q6P
More data for this
Ligand-Target Pair