BindingDB logo
myBDB logout

BDBM50314195 (+/-)-1-(3-(3-(2-aminoethylthio)-4-(trifluoromethyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)-3-(piperidin-1-yl)propan-2-ol::CHEMBL1090021

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(c(SCCN)c1)C(F)(F)F

InChI Key: InChIKey=GMAGNRKRRJIRJK-UHFFFAOYNA-N

Data: 1 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 1 hit for monomerid = 50314195   
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))
BDBM50314195
PNG
((+/-)-1-(3-(3-(2-aminoethylthio)-4-(trifluoromethy...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(c(SCCN)c1)C(F)(F)F
Show InChI InChI=1/C24H34F3N5O3S2/c1-37(34,35)31-11-7-21-19(16-31)23(29-32(21)15-18(33)14-30-9-3-2-4-10-30)17-5-6-20(24(25,26)27)22(13-17)36-12-8-28/h5-6,13,18,33H,2-4,7-12,14-16,28H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay


Bioorg Med Chem Lett 20: 2375-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.104
BindingDB Entry DOI: 10.7270/Q2B85888
More data for this
Ligand-Target Pair