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BDBM50323262 6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpholinopropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile::CHEMBL1208906

SMILES: CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCCN3CCOCC3)cnc2c(n1)C#N

InChI Key: InChIKey=MCSWMEWSUXLNDE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50323262   
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))
BDBM50323262
PNG
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpho...)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCCN3CCOCC3)cnc2c(n1)C#N
Show InChI InChI=1S/C23H24F3N5O2/c1-2-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)7-3-6-30-8-10-32-11-9-30/h4-5,12-13,15H,2-3,6-11H2,1H3
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Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50323262
PNG
(6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpho...)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc2n(CCCN3CCOCC3)cnc2c(n1)C#N
Show InChI InChI=1S/C23H24F3N5O2/c1-2-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)7-3-6-30-8-10-32-11-9-30/h4-5,12-13,15H,2-3,6-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 513n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 4350-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.072
BindingDB Entry DOI: 10.7270/Q2028RR9
More data for this
Ligand-Target Pair