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1 similar compounds to monomer 50273219

Compile data set for download or QSAR
Wt: 550.6
BDBM50273220

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50273220   
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))
BDBM50273220
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(c1)-c1ccccc1
Show InChI InChI=1S/C33H38N6O2/c1-39-17-11-25(12-18-39)41-26-7-8-29(27(19-26)24-5-3-2-4-6-24)37-32(40)28-22-35-30(20-34)38-31(28)36-21-23-9-13-33(14-10-23)15-16-33/h2-8,19,22-23,25H,9-18,21H2,1H3,(H,37,40)(H,35,36,38)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3n/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 L1


(Homo sapiens (Human))
BDBM50273220
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(c1)-c1ccccc1
Show InChI InChI=1S/C33H38N6O2/c1-39-17-11-25(12-18-39)41-26-7-8-29(27(19-26)24-5-3-2-4-6-24)37-32(40)28-22-35-30(20-34)38-31(28)36-21-23-9-13-33(14-10-23)15-16-33/h2-8,19,22-23,25H,9-18,21H2,1H3,(H,37,40)(H,35,36,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 840n/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