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BDBM50252504 6-(4-chlorobenzyl)-7-(3-cyclohexylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile::CHEMBL494886

SMILES: Clc1ccc(Cc2cc3cnc(nc3n2CCCC2CCCCC2)C#N)cc1

InChI Key: InChIKey=YWMLMYKWRUODJF-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 = 50252504   
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 L1


(Homo sapiens (Human))
BDBM50252504
PNG
(6-(4-chlorobenzyl)-7-(3-cyclohexylpropyl)-7H-pyrro...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C23H25ClN4/c24-20-10-8-18(9-11-20)13-21-14-19-16-26-22(15-25)27-23(19)28(21)12-4-7-17-5-2-1-3-6-17/h8-11,14,16-17H,1-7,12-13H2
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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 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))
BDBM50252504
PNG
(6-(4-chlorobenzyl)-7-(3-cyclohexylpropyl)-7H-pyrro...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C23H25ClN4/c24-20-10-8-18(9-11-20)13-21-14-19-16-26-22(15-25)27-23(19)28(21)12-4-7-17-5-2-1-3-6-17/h8-11,14,16-17H,1-7,12-13H2
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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 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
Cathepsin S


(Homo sapiens (Human))
BDBM50252504
PNG
(6-(4-chlorobenzyl)-7-(3-cyclohexylpropyl)-7H-pyrro...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCCC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C23H25ClN4/c24-20-10-8-18(9-11-20)13-21-14-19-16-26-22(15-25)27-23(19)28(21)12-4-7-17-5-2-1-3-6-17/h8-11,14,16-17H,1-7,12-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/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