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SMILES: CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O

InChI Key: InChIKey=IOQKOISMPDGVFY-LSLKUGRBSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50096383   
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


(Homo sapiens (Human))
BDBM50096383
PNG
(Benzo[b]thiophene-2-carboxylic acid [(S)-3-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O
Show InChI InChI=1S/C19H22N2O4S/c1-11(2)7-13(18(23)21-14-9-25-10-15(14)22)20-19(24)17-8-12-5-3-4-6-16(12)26-17/h3-6,8,11,13-14H,7,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-,14?/m0/s1
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PC cid
PC sid
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Similars

PubMed
11n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K


Bioorg Med Chem Lett 11: 199-202 (2001)


BindingDB Entry DOI: 10.7270/Q2TX3DMJ
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50096383
PNG
(Benzo[b]thiophene-2-carboxylic acid [(S)-3-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O
Show InChI InChI=1S/C19H22N2O4S/c1-11(2)7-13(18(23)21-14-9-25-10-15(14)22)20-19(24)17-8-12-5-3-4-6-16(12)26-17/h3-6,8,11,13-14H,7,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-,14?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
11n/an/an/an/an/an/an/an/a



Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human cysteine protease, cathepsin K.


Bioorg Med Chem Lett 11: 195-8 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45CQ
More data for this
Ligand-Target Pair