BDBM50506661 CHEMBL4517951

SMILES: COC(=O)c1cc(Nc2ncnc3[nH]ccc23)ccc1Br

InChI Key: InChIKey=YHDDNFHODNKNQV-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50506661   

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
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50506661 (CHEMBL4517951) Show SMILES COC(=O)c1cc(Nc2ncnc3[nH]ccc23)ccc1Br Show InChI InChI=1S/C14H11BrN4O2/c1-21-14(20)10-6-8(2-3-11(10)15)19-13-9-4-5-16-12(9)17-7-18-13/h2-7H,1H3,(H2,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC Curated by ChEMBL					Assay Description Binding affinity to phosphorylated TTBK1 (unknown origin) by SPR analysis				Eur J Med Chem 161: 39-47 (2019) Article DOI: 10.1016/j.ejmech.2018.10.030
					More data for this Ligand-Target Pair				3D Structure (crystal)