BDBM50238989 CHEMBL4087337

SMILES: COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1

InChI Key: InChIKey=IOJLBZJSULGZLY-CHHVJCJISA-N

Data: 11 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 11 hits for monomerid = 50238989   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Aurora kinase A (Homo sapiens (Human))	BDBM50238989 (CHEMBL4087337) Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1 Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human AURORA-A				Eur J Med Chem 130: 195-208 (2017) Article DOI: 10.1016/j.ejmech.2017.02.048 BindingDB Entry DOI: 10.7270/Q2XW4N3P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50238989 (CHEMBL4087337) Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1 Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				Eur J Med Chem 130: 195-208 (2017) Article DOI: 10.1016/j.ejmech.2017.02.048 BindingDB Entry DOI: 10.7270/Q2XW4N3P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50238989 (CHEMBL4087337) Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1 Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human BLK				Eur J Med Chem 130: 195-208 (2017) Article DOI: 10.1016/j.ejmech.2017.02.048 BindingDB Entry DOI: 10.7270/Q2XW4N3P
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM50238989 (CHEMBL4087337) Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1 Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human TEK				Eur J Med Chem 130: 195-208 (2017) Article DOI: 10.1016/j.ejmech.2017.02.048 BindingDB Entry DOI: 10.7270/Q2XW4N3P
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50238989 (CHEMBL4087337) Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1 Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human CDK5				Eur J Med Chem 130: 195-208 (2017) Article DOI: 10.1016/j.ejmech.2017.02.048 BindingDB Entry DOI: 10.7270/Q2XW4N3P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50238989 (CHEMBL4087337) Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1 Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human ITK				Eur J Med Chem 130: 195-208 (2017) Article DOI: 10.1016/j.ejmech.2017.02.048 BindingDB Entry DOI: 10.7270/Q2XW4N3P
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17B (STK17B) (Homo sapiens (Human))	BDBM50238989 (CHEMBL4087337) Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1 Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay				Eur J Med Chem 130: 195-208 (2017) Article DOI: 10.1016/j.ejmech.2017.02.048 BindingDB Entry DOI: 10.7270/Q2XW4N3P
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17A (Homo sapiens (Human))	BDBM50238989 (CHEMBL4087337) Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1 Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human DRAK1				Eur J Med Chem 130: 195-208 (2017) Article DOI: 10.1016/j.ejmech.2017.02.048 BindingDB Entry DOI: 10.7270/Q2XW4N3P
					More data for this Ligand-Target Pair
Death-associated protein kinase 2 (Homo sapiens (Human))	BDBM50238989 (CHEMBL4087337) Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1 Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Compound was tested for the inhibitory constant for adenosine deaminase (ADA)				Eur J Med Chem 130: 195-208 (2017) Article DOI: 10.1016/j.ejmech.2017.02.048 BindingDB Entry DOI: 10.7270/Q2XW4N3P
					More data for this Ligand-Target Pair
Death-associated protein kinase 3 (Homo sapiens (Human))	BDBM50238989 (CHEMBL4087337) Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1 Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human DAPK3				Eur J Med Chem 130: 195-208 (2017) Article DOI: 10.1016/j.ejmech.2017.02.048 BindingDB Entry DOI: 10.7270/Q2XW4N3P
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50238989 (CHEMBL4087337) Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1 Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibitory activity against the thymidylate synthase in the Permeabilized L1210 cells				Eur J Med Chem 130: 195-208 (2017) Article DOI: 10.1016/j.ejmech.2017.02.048 BindingDB Entry DOI: 10.7270/Q2XW4N3P
					More data for this Ligand-Target Pair