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SMILES: O=C(NCC#N)C(Cc1cccc(c1)-c1cccnn1)NC(=O)c1ccccc1

InChI Key: InChIKey=BKBPVMYBRCWYHF-UHFFFAOYSA-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 5 hits for monomerid = 50414633   
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
Procathepsin L


(Homo sapiens (Human))
BDBM50414633
PNG
(CHEMBL556436)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cccnn1)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H19N5O2/c23-11-13-24-22(29)20(26-21(28)17-7-2-1-3-8-17)15-16-6-4-9-18(14-16)19-10-5-12-25-27-19/h1-10,12,14,20H,13,15H2,(H,24,29)(H,26,28)
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n/an/a 1.26E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))
BDBM50414633
PNG
(CHEMBL556436)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cccnn1)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H19N5O2/c23-11-13-24-22(29)20(26-21(28)17-7-2-1-3-8-17)15-16-6-4-9-18(14-16)19-10-5-12-25-27-19/h1-10,12,14,20H,13,15H2,(H,24,29)(H,26,28)
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n/an/a 63.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50414633
PNG
(CHEMBL556436)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cccnn1)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H19N5O2/c23-11-13-24-22(29)20(26-21(28)17-7-2-1-3-8-17)15-16-6-4-9-18(14-16)19-10-5-12-25-27-19/h1-10,12,14,20H,13,15H2,(H,24,29)(H,26,28)
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n/an/a 6.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50414633
PNG
(CHEMBL556436)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cccnn1)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H19N5O2/c23-11-13-24-22(29)20(26-21(28)17-7-2-1-3-8-17)15-16-6-4-9-18(14-16)19-10-5-12-25-27-19/h1-10,12,14,20H,13,15H2,(H,24,29)(H,26,28)
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n/an/a 7.94n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50414633
PNG
(CHEMBL556436)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cccnn1)NC(=O)c1ccccc1
Show InChI InChI=1S/C22H19N5O2/c23-11-13-24-22(29)20(26-21(28)17-7-2-1-3-8-17)15-16-6-4-9-18(14-16)19-10-5-12-25-27-19/h1-10,12,14,20H,13,15H2,(H,24,29)(H,26,28)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a>6.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K assessed as inhibition of fluorogenic substrate cleavage


Bioorg Med Chem Lett 19: 4622-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.090
BindingDB Entry DOI: 10.7270/Q2N017S3
More data for this
Ligand-Target Pair