BindingDB PrimarySearch

BDBM50335376 (S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-hexahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione::(S,Z)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-hexahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione::CHEMBL1651523

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

InChI Key: InChIKey=JWTUFAOHKVRJNA-ZDUSSCGKSA-N

Data: 19 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50335376
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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ALK by TR-FRET based LanthaScreen assay				ACS Med Chem Lett 2: 22-27 (2011) Article DOI: 10.1021/ml1001807 BindingDB Entry DOI: 10.7270/Q2542NWT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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	1.70E+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))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ERK2 by Caliper mobility shift assay				ACS Med Chem Lett 2: 22-27 (2011) Article DOI: 10.1021/ml1001807 BindingDB Entry DOI: 10.7270/Q2542NWT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EPHB4 by TR-FRET based LanthaScreen assay				ACS Med Chem Lett 2: 22-27 (2011) Article DOI: 10.1021/ml1001807 BindingDB Entry DOI: 10.7270/Q2542NWT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of cKIT by TR-FRET based LanthaScreen assay				ACS Med Chem Lett 2: 22-27 (2011) Article DOI: 10.1021/ml1001807 BindingDB Entry DOI: 10.7270/Q2542NWT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of LCK by TR-FRET based LanthaScreen assay				ACS Med Chem Lett 2: 22-27 (2011) Article DOI: 10.1021/ml1001807 BindingDB Entry DOI: 10.7270/Q2542NWT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2 (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK2 by TR-FRET based LanthaScreen assay				ACS Med Chem Lett 2: 22-27 (2011) Article DOI: 10.1021/ml1001807 BindingDB Entry DOI: 10.7270/Q2542NWT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 5 (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK5 by TR-FRET based LanthaScreen assay				ACS Med Chem Lett 2: 22-27 (2011) Article DOI: 10.1021/ml1001807 BindingDB Entry DOI: 10.7270/Q2542NWT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MNK2 by TR-FRET based LanthaScreen assay				ACS Med Chem Lett 2: 22-27 (2011) Article DOI: 10.1021/ml1001807 BindingDB Entry DOI: 10.7270/Q2542NWT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of RET by TR-FRET based LanthaScreen assay				ACS Med Chem Lett 2: 22-27 (2011) Article DOI: 10.1021/ml1001807 BindingDB Entry DOI: 10.7270/Q2542NWT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) Show SMILES Show InChI	PDB 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+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2 by TR-FRET based LanthaScreen assay				ACS Med Chem Lett 2: 22-27 (2011) Article DOI: 10.1021/ml1001807 BindingDB Entry DOI: 10.7270/Q2542NWT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of VEGFR2 by TR-FRET based LanthaScreen assay				ACS Med Chem Lett 2: 22-27 (2011) Article DOI: 10.1021/ml1001807 BindingDB Entry DOI: 10.7270/Q2542NWT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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	>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 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))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+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
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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	440	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
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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	4.20E+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 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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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	850	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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	540	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
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50335376 ((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...) 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	1.20E+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 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