BDBM50466846 CHEMBL4293599

SMILES: CC[C@@H](CO)Nc1cc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=VGHHVXRBOQENRA-FQEVSTJZSA-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 = 50466846   

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))	BDBM50466846 (CHEMBL4293599) Show SMILES CC[C@@H](CO)Nc1cc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C25H30N6O/c1-4-20(15-32)29-23-13-22(24-25(30-23)31(16-28-24)17(2)3)27-14-18-8-10-19(11-9-18)21-7-5-6-12-26-21/h5-13,16-17,20,32H,4,14-15H2,1-3H3,(H2,27,29,30)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin)				J Med Chem 61: 9791-9810 (2018) Article DOI: 10.1021/acs.jmedchem.8b00185 BindingDB Entry DOI: 10.7270/Q2H41V3Q
					More data for this Ligand-Target Pair