BindingDB logo
myBDB logout

BDBM50156084 9-Cyclopentyl-6-(2-{4-[2-(4-methyl-piperazin-1-yl)-ethoxy]-benzyloxy}-phenylamino)-9H-purine-2-carbonitrile::CHEMBL189730

SMILES: CN1CCN(CCOc2ccc(COc3ccccc3Nc3nc(nc4n(cnc34)C3CCCC3)C#N)cc2)CC1

InChI Key: InChIKey=WAQLYLNMWXUBCF-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 = 50156084   
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))
BDBM50156084
PNG
(9-Cyclopentyl-6-(2-{4-[2-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CCOc2ccc(COc3ccccc3Nc3nc(nc4n(cnc34)C3CCCC3)C#N)cc2)CC1
Show InChI InChI=1S/C31H36N8O2/c1-37-14-16-38(17-15-37)18-19-40-25-12-10-23(11-13-25)21-41-27-9-5-4-8-26(27)34-30-29-31(36-28(20-32)35-30)39(22-33-29)24-6-2-3-7-24/h4-5,8-13,22,24H,2-3,6-7,14-19,21H2,1H3,(H,34,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 560n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin L by using Z-Phe-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50156084
PNG
(9-Cyclopentyl-6-(2-{4-[2-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CCOc2ccc(COc3ccccc3Nc3nc(nc4n(cnc34)C3CCCC3)C#N)cc2)CC1
Show InChI InChI=1S/C31H36N8O2/c1-37-14-16-38(17-15-37)18-19-40-25-12-10-23(11-13-25)21-41-27-9-5-4-8-26(27)34-30-29-31(36-28(20-32)35-30)39(22-33-29)24-6-2-3-7-24/h4-5,8-13,22,24H,2-3,6-7,14-19,21H2,1H3,(H,34,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin S by using Z-Leu-Leu-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50156084
PNG
(9-Cyclopentyl-6-(2-{4-[2-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CCOc2ccc(COc3ccccc3Nc3nc(nc4n(cnc34)C3CCCC3)C#N)cc2)CC1
Show InChI InChI=1S/C31H36N8O2/c1-37-14-16-38(17-15-37)18-19-40-25-12-10-23(11-13-25)21-41-27-9-5-4-8-26(27)34-30-29-31(36-28(20-32)35-30)39(22-33-29)24-6-2-3-7-24/h4-5,8-13,22,24H,2-3,6-7,14-19,21H2,1H3,(H,34,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human cathepsin K by using Z-Phe-Arg-AMC as synthetic substrate


J Med Chem 47: 5833-6 (2004)


Article DOI: 10.1021/jm0493111
BindingDB Entry DOI: 10.7270/Q2862FWZ
More data for this
Ligand-Target Pair