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BDBM50323265 CHEMBL1208847::N-(4-(4-cyano-1H-imidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenyl)acetamide

SMILES: CC(=O)Nc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N

InChI Key: InChIKey=RTYPDZWNEFAGDW-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 = 50323265   
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))
BDBM50323265
PNG
(CHEMBL1208847 | N-(4-(4-cyano-1H-imidazo[4,5-c]pyr...)
Show SMILES CC(=O)Nc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C16H10F3N5O/c1-8(25)23-11-3-2-9(4-10(11)16(17,18)19)12-5-13-15(22-7-21-13)14(6-20)24-12/h2-5,7H,1H3,(H,21,22)(H,23,25)
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MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.24E+3n/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))
BDBM50323265
PNG
(CHEMBL1208847 | N-(4-(4-cyano-1H-imidazo[4,5-c]pyr...)
Show SMILES CC(=O)Nc1ccc(cc1C(F)(F)F)-c1cc2nc[nH]c2c(n1)C#N
Show InChI InChI=1S/C16H10F3N5O/c1-8(25)23-11-3-2-9(4-10(11)16(17,18)19)12-5-13-15(22-7-21-13)14(6-20)24-12/h2-5,7H,1H3,(H,21,22)(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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