BDBM50392853 CHEMBL2000337

SMILES: OC(=O)C(CC(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1

InChI Key: InChIKey=PPEBBOHQEAQKSW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50392853   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50392853 (CHEMBL2000337) Show SMILES OC(=O)C(CC(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C18H14O7/c19-13(11-2-4-15-17(6-11)25-9-23-15)7-12(18(20)21)10-1-3-14-16(5-10)24-8-22-14/h1-6,12H,7-9H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p38MAPKalpha using GST-ATF2 (1 to 115) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by ...				ACS Med Chem Lett 3: 721-725 (2012) Article DOI: 10.1021/ml300129b BindingDB Entry DOI: 10.7270/Q2ZG6T9C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50392853 (CHEMBL2000337) Show SMILES OC(=O)C(CC(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C18H14O7/c19-13(11-2-4-15-17(6-11)25-9-23-15)7-12(18(20)21)10-1-3-14-16(5-10)24-8-22-14/h1-6,12H,7-9H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of FITC-JIP peptide from human His-tagged JNK2alpha2 after 30 mins by fluorescence assay				ACS Med Chem Lett 3: 721-725 (2012) Article DOI: 10.1021/ml300129b BindingDB Entry DOI: 10.7270/Q2ZG6T9C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50392853 (CHEMBL2000337) Show SMILES OC(=O)C(CC(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C18H14O7/c19-13(11-2-4-15-17(6-11)25-9-23-15)7-12(18(20)21)10-1-3-14-16(5-10)24-8-22-14/h1-6,12H,7-9H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human JNK2alpha2 using GST-c-jun (1 to 221) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 min...				ACS Med Chem Lett 3: 721-725 (2012) Article DOI: 10.1021/ml300129b BindingDB Entry DOI: 10.7270/Q2ZG6T9C
					More data for this Ligand-Target Pair
ERK-2 (Rattus norvegicus (rat))	BDBM50392853 (CHEMBL2000337) Show SMILES OC(=O)C(CC(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C18H14O7/c19-13(11-2-4-15-17(6-11)25-9-23-15)7-12(18(20)21)10-1-3-14-16(5-10)24-8-22-14/h1-6,12H,7-9H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat ERK2 using Ets1 (1 to 138) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid s...				ACS Med Chem Lett 3: 721-725 (2012) Article DOI: 10.1021/ml300129b BindingDB Entry DOI: 10.7270/Q2ZG6T9C
					More data for this Ligand-Target Pair