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BDBM50414628 CHEMBL551533

SMILES: O=C(NCC#N)C(Cc1cccc(c1)-c1cncnc1)NC(=O)c1ccccc1

InChI Key: InChIKey=DBVBMQPLQKOZGO-UHFFFAOYNA-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 = 50414628   
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 L1


(Homo sapiens (Human))
BDBM50414628
PNG
(CHEMBL551533)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cncnc1)NC(=O)c1ccccc1
Show InChI InChI=1/C22H19N5O2/c23-9-10-26-22(29)20(27-21(28)17-6-2-1-3-7-17)12-16-5-4-8-18(11-16)19-13-24-15-25-14-19/h1-8,11,13-15,20H,10,12H2,(H,26,29)(H,27,28)
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PubMed
n/an/a 3.98E+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 V


(Homo sapiens (Human))
BDBM50414628
PNG
(CHEMBL551533)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cncnc1)NC(=O)c1ccccc1
Show InChI InChI=1/C22H19N5O2/c23-9-10-26-22(29)20(27-21(28)17-6-2-1-3-7-17)12-16-5-4-8-18(11-16)19-13-24-15-25-14-19/h1-8,11,13-15,20H,10,12H2,(H,26,29)(H,27,28)
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n/an/a>7.94E+3n/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 S


(Homo sapiens (Human))
BDBM50414628
PNG
(CHEMBL551533)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cncnc1)NC(=O)c1ccccc1
Show InChI InChI=1/C22H19N5O2/c23-9-10-26-22(29)20(27-21(28)17-6-2-1-3-7-17)12-16-5-4-8-18(11-16)19-13-24-15-25-14-19/h1-8,11,13-15,20H,10,12H2,(H,26,29)(H,27,28)
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n/an/a 316n/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))
BDBM50414628
PNG
(CHEMBL551533)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cncnc1)NC(=O)c1ccccc1
Show InChI InChI=1/C22H19N5O2/c23-9-10-26-22(29)20(27-21(28)17-6-2-1-3-7-17)12-16-5-4-8-18(11-16)19-13-24-15-25-14-19/h1-8,11,13-15,20H,10,12H2,(H,26,29)(H,27,28)
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n/an/a>7.94E+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
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50414628
PNG
(CHEMBL551533)
Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1cncnc1)NC(=O)c1ccccc1
Show InChI InChI=1/C22H19N5O2/c23-9-10-26-22(29)20(27-21(28)17-6-2-1-3-7-17)12-16-5-4-8-18(11-16)19-13-24-15-25-14-19/h1-8,11,13-15,20H,10,12H2,(H,26,29)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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