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BDBM110188 1-(2,4-Dihydroxyphenyl)-3-(pyridin-2-yl)propenone (8)

SMILES: Oc1ccc(C(=O)\C=C\c2ccccn2)c(O)c1

InChI Key: InChIKey=JWNCPYLEXSREPQ-QPJJXVBHSA-N

Data: 4 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 4 hits for monomerid = 110188   
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
Calpain1/2


(Homo sapiens (Human))
BDBM110188
PNG
(1-(2,4-Dihydroxyphenyl)-3-(pyridin-2-yl)propenone ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccn2)c(O)c1
Show InChI InChI=1S/C14H11NO3/c16-11-5-6-12(14(18)9-11)13(17)7-4-10-3-1-2-8-15-10/h1-9,16,18H/b7-4+
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PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.525



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of µ-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 50 mM NaCl, 1 mM EDTA, 1 mM EGTA and 5 mM β-mercaptoethanol, pH...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM110188
PNG
(1-(2,4-Dihydroxyphenyl)-3-(pyridin-2-yl)propenone ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccn2)c(O)c1
Show InChI InChI=1S/C14H11NO3/c16-11-5-6-12(14(18)9-11)13(17)7-4-10-3-1-2-8-15-10/h1-9,16,18H/b7-4+
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UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a5.537



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of cathepsin L was assayed in reaction buffer (0.1M NaOAc-HCl, 1 mM EDTA, 0.1% β-mercaptoethanol, pH 5.5) containing 20 µM subst...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM110188
PNG
(1-(2,4-Dihydroxyphenyl)-3-(pyridin-2-yl)propenone ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccn2)c(O)c1
Show InChI InChI=1S/C14H11NO3/c16-11-5-6-12(14(18)9-11)13(17)7-4-10-3-1-2-8-15-10/h1-9,16,18H/b7-4+
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UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a5.537



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110188
PNG
(1-(2,4-Dihydroxyphenyl)-3-(pyridin-2-yl)propenone ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccn2)c(O)c1
Show InChI InChI=1S/C14H11NO3/c16-11-5-6-12(14(18)9-11)13(17)7-4-10-3-1-2-8-15-10/h1-9,16,18H/b7-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.525



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
More data for this
Ligand-Target Pair