BindingDB PrimarySearch

BDBM50336459 (S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione::CHEMBL1668418

SMILES: COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O

InChI Key: InChIKey=HRKYCRIVTWSVJU-ZDUSSCGKSA-N

Data: 12 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50336459
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR3 in cell free system after 90 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant ERK1 expressed in E.coli after 30 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant PDGFRbeta expressed in insect cells after 30 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR1 expressed in Sf9 cells after 10 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant c-kit kinase in cell free system after 30 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant MEK1 expressed in insect cells after 20 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant ERK2 expressed in E.coli after 15 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant FLT-3 kinase expressed in insect cells after 90 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3alpha in cell free system after 60 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta in cell free system after 90 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR2 expressed in Sf9 cells after 60 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50336459 ((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Curated by ChEMBL					Assay Description Inhibition of human recombinant PDGFRalpha in cell free system after 60 mins				Bioorg Med Chem Lett 21: 1167-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.100 BindingDB Entry DOI: 10.7270/Q23T9HH5
National University of Ireland Curated by ChEMBL					More data for this Ligand-Target Pair