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BDBM50187521 (E)-{2-(hydroxymethyl)-4-[(4-hydroxyphenyl)methylene]-5-oxo-2,3-dihydrofur-2-yl}methyl 4-methyl-3-(methylethyl)pentanoate::CHEMBL380645

SMILES: CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2ccc(O)cc2)C(=O)O1)C(C)C

InChI Key: InChIKey=JKERAVGYQRGKNA-RQZCQDPDSA-N

Data: 3 KI  1 Kd

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 = 50187521   
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
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50187521
PNG
((E)-{2-(hydroxymethyl)-4-[(4-hydroxyphenyl)methyle...)
Show SMILES CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2ccc(O)cc2)C(=O)O1)C(C)C
Show InChI InChI=1S/C22H30O6/c1-14(2)19(15(3)4)10-20(25)27-13-22(12-23)11-17(21(26)28-22)9-16-5-7-18(24)8-6-16/h5-9,14-15,19,23-24H,10-13H2,1-4H3/b17-9+
PDB
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PC cid
PC sid
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Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Binding affinity to PKCdeltaC1b in presence of phospholipid


J Med Chem 49: 3185-203 (2006)


Article DOI: 10.1021/jm060011o
BindingDB Entry DOI: 10.7270/Q2Z89C1G
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50187521
PNG
((E)-{2-(hydroxymethyl)-4-[(4-hydroxyphenyl)methyle...)
Show SMILES CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2ccc(O)cc2)C(=O)O1)C(C)C
Show InChI InChI=1S/C22H30O6/c1-14(2)19(15(3)4)10-20(25)27-13-22(12-23)11-17(21(26)28-22)9-16-5-7-18(24)8-6-16/h5-9,14-15,19,23-24H,10-13H2,1-4H3/b17-9+
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Article
PubMed
19n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBU from recombinant PKCalpha in presence of phosphatidylserine


J Med Chem 49: 3185-203 (2006)


Article DOI: 10.1021/jm060011o
BindingDB Entry DOI: 10.7270/Q2Z89C1G
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50187521
PNG
((E)-{2-(hydroxymethyl)-4-[(4-hydroxyphenyl)methyle...)
Show SMILES CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2ccc(O)cc2)C(=O)O1)C(C)C
Show InChI InChI=1S/C22H30O6/c1-14(2)19(15(3)4)10-20(25)27-13-22(12-23)11-17(21(26)28-22)9-16-5-7-18(24)8-6-16/h5-9,14-15,19,23-24H,10-13H2,1-4H3/b17-9+
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PubMed
170n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Binding affinity to PKCdeltaC1b in absence of phospholipid


J Med Chem 49: 3185-203 (2006)


Article DOI: 10.1021/jm060011o
BindingDB Entry DOI: 10.7270/Q2Z89C1G
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50187521
PNG
((E)-{2-(hydroxymethyl)-4-[(4-hydroxyphenyl)methyle...)
Show SMILES CC(C)C(CC(=O)OCC1(CO)C\C(=C/c2ccc(O)cc2)C(=O)O1)C(C)C
Show InChI InChI=1S/C22H30O6/c1-14(2)19(15(3)4)10-20(25)27-13-22(12-23)11-17(21(26)28-22)9-16-5-7-18(24)8-6-16/h5-9,14-15,19,23-24H,10-13H2,1-4H3/b17-9+
PDB
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Article
PubMed
n/an/an/a 3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from GST-tagged full-length mouse PKC-delta C1B domain expressed in Escherichia coli after 2 to 30 mins by polyethylene g...


J Med Chem 57: 3835-44 (2014)


Article DOI: 10.1021/jm500165n
BindingDB Entry DOI: 10.7270/Q2319XF9
More data for this
Ligand-Target Pair