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1 similar compounds to monomer 50323258

Compile data set for download or QSAR
Wt: 346.3
BDBM50323259

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50323259   
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))
BDBM50323259
PNG
(6-(4-(2-hydroxyethyl)-3-(trifluoromethyl)phenyl)-1...)
Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(CCO)c(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C17H13F3N4O/c1-24-9-22-16-14(8-21)23-13(7-15(16)24)11-3-2-10(4-5-25)12(6-11)17(18,19)20/h2-3,6-7,9,25H,4-5H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/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))
BDBM50323259
PNG
(6-(4-(2-hydroxyethyl)-3-(trifluoromethyl)phenyl)-1...)
Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(CCO)c(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C17H13F3N4O/c1-24-9-22-16-14(8-21)23-13(7-15(16)24)11-3-2-10(4-5-25)12(6-11)17(18,19)20/h2-3,6-7,9,25H,4-5H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.16E+3n/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