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BDBM50417995 CHEMBL1672433

SMILES: COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@H](C)N(C1)C#N

InChI Key: InChIKey=OBODFDBEYMKZMM-WDEREUQCSA-N

Data: 5 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 5 hits for monomerid = 50417995   
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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50417995
PNG
(CHEMBL1672433)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@H](C)N(C1)C#N |r|
Show InChI InChI=1S/C14H19N3O4S/c1-10-6-11(8-17(10)9-15)16-22(18,19)14-7-12(20-2)4-5-13(14)21-3/h4-5,7,10-11,16H,6,8H2,1-3H3/t10-,11+/m0/s1
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Article
PubMed
n/an/a 126n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50417995
PNG
(CHEMBL1672433)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@H](C)N(C1)C#N |r|
Show InChI InChI=1S/C14H19N3O4S/c1-10-6-11(8-17(10)9-15)16-22(18,19)14-7-12(20-2)4-5-13(14)21-3/h4-5,7,10-11,16H,6,8H2,1-3H3/t10-,11+/m0/s1
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Article
PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50417995
PNG
(CHEMBL1672433)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@H](C)N(C1)C#N |r|
Show InChI InChI=1S/C14H19N3O4S/c1-10-6-11(8-17(10)9-15)16-22(18,19)14-7-12(20-2)4-5-13(14)21-3/h4-5,7,10-11,16H,6,8H2,1-3H3/t10-,11+/m0/s1
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PubMed
n/an/a 631n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50417995
PNG
(CHEMBL1672433)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@H](C)N(C1)C#N |r|
Show InChI InChI=1S/C14H19N3O4S/c1-10-6-11(8-17(10)9-15)16-22(18,19)14-7-12(20-2)4-5-13(14)21-3/h4-5,7,10-11,16H,6,8H2,1-3H3/t10-,11+/m0/s1
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Article
PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50417995
PNG
(CHEMBL1672433)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H]1C[C@H](C)N(C1)C#N |r|
Show InChI InChI=1S/C14H19N3O4S/c1-10-6-11(8-17(10)9-15)16-22(18,19)14-7-12(20-2)4-5-13(14)21-3/h4-5,7,10-11,16H,6,8H2,1-3H3/t10-,11+/m0/s1
PDB
MMDB

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UniProtKB/TrEMBL

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CHEMBL
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PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B after 1 hr


ACS Med Chem Lett 2: 142-147 (2011)


Article DOI: 10.1021/ml100212k
BindingDB Entry DOI: 10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair