BDBM50391730 CHEMBL258741

SMILES: COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O

InChI Key: InChIKey=QUOCIDQIFWYHLB-QHKWOANTSA-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 = 50391730   

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
CAMK2A (Homo sapiens (Human))	BDBM50391730 (CHEMBL258741) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
					More data for this Ligand-Target Pair
CAMK2A (Homo sapiens (Human))	BDBM50391730 (CHEMBL258741) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
					More data for this Ligand-Target Pair
CAMK2A (Homo sapiens (Human))	BDBM50391730 (CHEMBL258741) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secs				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
					More data for this Ligand-Target Pair
CAMK2A (Homo sapiens (Human))	BDBM50391730 (CHEMBL258741) Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rajiv Gandhi Centre for Biotechnology Curated by ChEMBL					Assay Description Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in prese...				Bioorg Med Chem 20: 6040-7 (2012) Article DOI: 10.1016/j.bmc.2012.08.029 BindingDB Entry DOI: 10.7270/Q28916ZM
					More data for this Ligand-Target Pair