BDBM50114576 CHEMBL3609565

SMILES: O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC4(CC3c12)SCCS4

InChI Key: InChIKey=VYIRYOGIKCRYCM-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 = 50114576   

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))	BDBM50114576 (CHEMBL3609565) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC4(CC3c12)SCCS4 Show InChI InChI=1S/C20H20N4O2S2/c25-18-13-4-3-5-14(22-19(26)23-16-6-1-2-8-21-16)17(13)15-12-20(7-9-24(15)18)27-10-11-28-20/h1-6,8,15H,7,9-12H2,(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