BDBM50114697 CHEMBL3609663

SMILES: COc1cc(NC(=O)Nc2cccc3C(=O)N4CCC5(CC4c23)OCCO5)nc2ccccc12

InChI Key: InChIKey=LJSYPHPOBXVOMW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50114697   

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 (Homo sapiens (Human))	BDBM50114697 (CHEMBL3609663) Show SMILES COc1cc(NC(=O)Nc2cccc3C(=O)N4CCC5(CC4c23)OCCO5)nc2ccccc12 Show InChI InChI=1S/C25H24N4O5/c1-32-20-13-21(26-17-7-3-2-5-15(17)20)28-24(31)27-18-8-4-6-16-22(18)19-14-25(33-11-12-34-25)9-10-29(19)23(16)30/h2-8,13,19H,9-12,14H2,1H3,(H2,26,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UMR 7311 Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli				Eur J Med Chem 101: 274-87 (2015) BindingDB Entry DOI: 10.7270/Q24T6M53
					More data for this Ligand-Target Pair