BDBM50391198 CHEMBL2088676

SMILES: COc1ccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)cc1

InChI Key: InChIKey=JMZDXQIZYZGFQD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50391198   

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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50391198 (CHEMBL2088676) Show SMILES COc1ccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)cc1 Show InChI InChI=1S/C20H19N3O3/c1-12-18-16-10-15(26-3)8-9-17(16)23(19(18)20(24)22-21-12)11-13-4-6-14(25-2)7-5-13/h4-10H,11H2,1-3H3,(H,22,24)	PDB UniProtKB/SwissProt 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
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate				Eur J Med Chem 57: 225-33 (2012) Article DOI: 10.1016/j.ejmech.2012.09.001 BindingDB Entry DOI: 10.7270/Q2RF5W4C
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50391198 (CHEMBL2088676) Show SMILES COc1ccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)cc1 Show InChI InChI=1S/C20H19N3O3/c1-12-18-16-10-15(26-3)8-9-17(16)23(19(18)20(24)22-21-12)11-13-4-6-14(25-2)7-5-13/h4-10H,11H2,1-3H3,(H,22,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay				Eur J Med Chem 57: 225-33 (2012) Article DOI: 10.1016/j.ejmech.2012.09.001 BindingDB Entry DOI: 10.7270/Q2RF5W4C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50391198 (CHEMBL2088676) Show SMILES COc1ccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)cc1 Show InChI InChI=1S/C20H19N3O3/c1-12-18-16-10-15(26-3)8-9-17(16)23(19(18)20(24)22-21-12)11-13-4-6-14(25-2)7-5-13/h4-10H,11H2,1-3H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
Universit£ de Nantes Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate				Eur J Med Chem 57: 225-33 (2012) Article DOI: 10.1016/j.ejmech.2012.09.001 BindingDB Entry DOI: 10.7270/Q2RF5W4C
					More data for this Ligand-Target Pair