BDBM50391194 CHEMBL2088672

SMILES: COc1ccc2n(Cc3ccc(cc3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1

InChI Key: InChIKey=XJJLKQCURPTAPU-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 = 50391194   

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)	BDBM50391194 (CHEMBL2088672) Show SMILES COc1ccc2n(Cc3ccc(cc3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1 Show InChI InChI=1S/C19H16N4O4/c1-11-17-15-9-14(27-2)7-8-16(15)22(18(17)19(24)21-20-11)10-12-3-5-13(6-4-12)23(25)26/h3-9H,10H2,1-2H3,(H,21,24)	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))	BDBM50391194 (CHEMBL2088672) Show SMILES COc1ccc2n(Cc3ccc(cc3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1 Show InChI InChI=1S/C19H16N4O4/c1-11-17-15-9-14(27-2)7-8-16(15)22(18(17)19(24)21-20-11)10-12-3-5-13(6-4-12)23(25)26/h3-9H,10H2,1-2H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	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))	BDBM50391194 (CHEMBL2088672) Show SMILES COc1ccc2n(Cc3ccc(cc3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1 Show InChI InChI=1S/C19H16N4O4/c1-11-17-15-9-14(27-2)7-8-16(15)22(18(17)19(24)21-20-11)10-12-3-5-13(6-4-12)23(25)26/h3-9H,10H2,1-2H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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