Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 362.3 BDBM50336457

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

Found 19 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	koff s-1	kon M-1s-1	pH	Temp °C
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.240	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
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.490	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
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	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 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
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	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
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	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
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of MEK1				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60	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
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	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
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	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
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of Erk2				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA				J Nat Prod 74: 1126-31 (2011) Article DOI: 10.1021/np200062x BindingDB Entry DOI: 10.7270/Q25M6621
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of MEK7				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 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
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 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
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+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 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
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of MKK4				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA				J Nat Prod 74: 1126-31 (2011) Article DOI: 10.1021/np200062x BindingDB Entry DOI: 10.7270/Q25M6621
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+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 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
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 ERK5 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
					More data for this Ligand-Target Pair