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BDBM50252652 7-(2-cyclohexylethyl)-6-((phenylamino)methyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile::CHEMBL523037

SMILES: N#Cc1ncc2cc(CNc3ccccc3)n(CCC3CCCCC3)c2n1

InChI Key: InChIKey=GRDSFPVSILXSFF-UHFFFAOYSA-N

Data: 3 IC50

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 = 50252652   
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 S


(Homo sapiens (Human))
BDBM50252652
PNG
(7-(2-cyclohexylethyl)-6-((phenylamino)methyl)-7H-p...)
Show SMILES N#Cc1ncc2cc(CNc3ccccc3)n(CCC3CCCCC3)c2n1
Show InChI InChI=1S/C22H25N5/c23-14-21-25-15-18-13-20(16-24-19-9-5-2-6-10-19)27(22(18)26-21)12-11-17-7-3-1-4-8-17/h2,5-6,9-10,13,15,17,24H,1,3-4,7-8,11-12,16H2
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PC cid
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Article
PubMed
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 fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50252652
PNG
(7-(2-cyclohexylethyl)-6-((phenylamino)methyl)-7H-p...)
Show SMILES N#Cc1ncc2cc(CNc3ccccc3)n(CCC3CCCCC3)c2n1
Show InChI InChI=1S/C22H25N5/c23-14-21-25-15-18-13-20(16-24-19-9-5-2-6-10-19)27(22(18)26-21)12-11-17-7-3-1-4-8-17/h2,5-6,9-10,13,15,17,24H,1,3-4,7-8,11-12,16H2
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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 L by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50252652
PNG
(7-(2-cyclohexylethyl)-6-((phenylamino)methyl)-7H-p...)
Show SMILES N#Cc1ncc2cc(CNc3ccccc3)n(CCC3CCCCC3)c2n1
Show InChI InChI=1S/C22H25N5/c23-14-21-25-15-18-13-20(16-24-19-9-5-2-6-10-19)27(22(18)26-21)12-11-17-7-3-1-4-8-17/h2,5-6,9-10,13,15,17,24H,1,3-4,7-8,11-12,16H2
PDB
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Reactome pathway
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UniProtKB/SwissProt

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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 K by fluorescence assay


Bioorg Med Chem Lett 18: 3959-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.009
BindingDB Entry DOI: 10.7270/Q23N235B
More data for this
Ligand-Target Pair