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BDBM50259930 6-(10'Z-heptadecenyl)-salicylicacid::6-[10'(Z)-heptade-cenyljsalicylic acid::CHEMBL470768::Ginkgolic acid C17:1 (3)

SMILES: CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O

InChI Key: InChIKey=MBYNDKVOZOAOIS-FPLPWBNLSA-N

Data: 6 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 6 hits for monomerid = 50259930   
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
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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n/an/a 1.05E+4n/an/an/an/a7.037



Yeungnam University



Assay Description
To each microtube (final volume: 100 μL), FAS was added (20-30 μg protein) in a buffer containing 100 mM potassium phosphate (pH 7.0), 2.5 ...


J Enzyme Inhib Med Chem 28: 565-8 (2013)


Article DOI: 10.3109/14756366.2012.658786
BindingDB Entry DOI: 10.7270/Q2D21WHW
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic trypsin after 15 mins


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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n/an/a 573n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1


(Bos taurus)
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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n/an/a 2.22E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain PI-PLCgamma1


J Nat Prod 61: 867-71 (1998)


Article DOI: 10.1021/np970367q
BindingDB Entry DOI: 10.7270/Q25Q4VVG
More data for this
Ligand-Target Pair
1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1


(Bos taurus)
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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n/an/a 7.40E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain PI-PLCgamma1 at 125 ug/mL


J Nat Prod 61: 867-71 (1998)


Article DOI: 10.1021/np970367q
BindingDB Entry DOI: 10.7270/Q25Q4VVG
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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n/an/a 6.80E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair