SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 346.5
BDBM50242188

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 9 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50242188 (6-(8'Z-pentadecenyl)-salicylicacid \| 6-[8'(Z)-pent...) Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of SMS1 (unknown origin)				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
Hokkaido University Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50242188 (6-(8'Z-pentadecenyl)-salicylicacid \| 6-[8'(Z)-pent...) Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin)				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
Hokkaido University Curated by ChEMBL					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM50242188 (6-(8'Z-pentadecenyl)-salicylicacid \| 6-[8'(Z)-pent...) Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant SAE1(unknown origin)-mediated SUMOylation of RanGAP1-C2				J Med Chem 56: 2165-77 (2013) Article DOI: 10.1021/jm301420b BindingDB Entry DOI: 10.7270/Q29P32ZT
University of Toronto Mississauga Curated by ChEMBL					More data for this Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (Bos taurus)	BDBM50242188 (6-(8'Z-pentadecenyl)-salicylicacid \| 6-[8'(Z)-pent...) Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.66E+3	n/a	n/a	n/a	n/a	n/a	n/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
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Fatty acid synthase (Gallus gallus (Chicken))	BDBM50242188 (6-(8'Z-pentadecenyl)-salicylicacid \| 6-[8'(Z)-pent...) Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	7.0	37
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
Yeungnam University					More data for this Ligand-Target Pair
Tissue factor (Homo sapiens (Human))	BDBM50242188 (6-(8'Z-pentadecenyl)-salicylicacid \| 6-[8'(Z)-pent...) Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/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
Searle Discovery Research Curated by ChEMBL					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50242188 (6-(8'Z-pentadecenyl)-salicylicacid \| 6-[8'(Z)-pent...) Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of soybean lipoxygenase-1				J Nat Prod 57: 1755-1757 (1994) Article DOI: 10.1021/np50114a025 BindingDB Entry DOI: 10.7270/Q23B6042
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (Bos taurus)	BDBM50242188 (6-(8'Z-pentadecenyl)-salicylicacid \| 6-[8'(Z)-pent...) Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.63E+4	n/a	n/a	n/a	n/a	n/a	n/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
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin (Sus scrofa)	BDBM50242188 (6-(8'Z-pentadecenyl)-salicylicacid \| 6-[8'(Z)-pent...) Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/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
Searle Discovery Research Curated by ChEMBL					More data for this Ligand-Target Pair