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SMILES: CSc1ccc(cc1)-c1ccccc1[C@@H]1CC[C@H](F)C[C@H]1C(=O)NCC#N

InChI Key: InChIKey=SVGXUGNWPUHTTJ-ORYQWCPZSA-N

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 = 19852   
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 K


(Oryctolagus cuniculus (rabbit))
BDBM19852
PNG
((1R,2R,5S)-N-(cyanomethyl)-5-fluoro-2-{2-[4-(methy...)
Show SMILES CSc1ccc(cc1)-c1ccccc1[C@@H]1CC[C@H](F)C[C@H]1C(=O)NCC#N |r|
Show InChI InChI=1S/C22H23FN2OS/c1-27-17-9-6-15(7-10-17)18-4-2-3-5-19(18)20-11-8-16(23)14-21(20)22(26)25-13-12-24/h2-7,9-10,16,20-21H,8,11,13-14H2,1H3,(H,25,26)/t16-,20-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 49: 1066-79 (2006)


Article DOI: 10.1021/jm051059p
BindingDB Entry DOI: 10.7270/Q2DF6PH3
More data for this
Ligand-Target Pair
Cathepsin K


(Oryctolagus cuniculus (rabbit))
BDBM19852
PNG
((1R,2R,5S)-N-(cyanomethyl)-5-fluoro-2-{2-[4-(methy...)
Show SMILES CSc1ccc(cc1)-c1ccccc1[C@@H]1CC[C@H](F)C[C@H]1C(=O)NCC#N |r|
Show InChI InChI=1S/C22H23FN2OS/c1-27-17-9-6-15(7-10-17)18-4-2-3-5-19(18)20-11-8-16(23)14-21(20)22(26)25-13-12-24/h2-7,9-10,16,20-21H,8,11,13-14H2,1H3,(H,25,26)/t16-,20-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 49: 1066-79 (2006)


Article DOI: 10.1021/jm051059p
BindingDB Entry DOI: 10.7270/Q2DF6PH3
More data for this
Ligand-Target Pair