BDBM50114581 CHEMBL3609654

SMILES: O=C(Nc1cnccn1)Nc1cccc2C(=O)N3CCC4(CC3c12)SCCS4

InChI Key: InChIKey=AKKQLMPWVUMKJQ-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 = 50114581   

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))	BDBM50114581 (CHEMBL3609654) Show SMILES O=C(Nc1cnccn1)Nc1cccc2C(=O)N3CCC4(CC3c12)SCCS4 Show InChI InChI=1S/C19H19N5O2S2/c25-17-12-2-1-3-13(22-18(26)23-15-11-20-5-6-21-15)16(12)14-10-19(4-7-24(14)17)27-8-9-28-19/h1-3,5-6,11,14H,4,7-10H2,(H2,21,22,23,26)	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