BDBM50114780 CHEMBL3609668

SMILES: Cc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCC4(CC3c12)OCCO4

InChI Key: InChIKey=SGLFNEQEJCBMII-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 = 50114780   

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))	BDBM50114780 (CHEMBL3609668) Show SMILES Cc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCC4(CC3c12)OCCO4 Show InChI InChI=1S/C21H22N4O4/c1-13-4-3-8-22-18(13)24-20(27)23-15-6-2-5-14-17(15)16-12-21(28-10-11-29-21)7-9-25(16)19(14)26/h2-6,8,16H,7,9-12H2,1H3,(H2,22,23,24,27)	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