BDBM50056751 CHEMBL3331005

SMILES: Cc1ccccc1\C=C/c1ncc(n1CCOC(=O)c1c[nH]c2ccccc12)[N+]([O-])=O

InChI Key: InChIKey=PQDJXEMATLQZGP-KHPPLWFESA-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 = 50056751   

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
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50056751 (CHEMBL3331005) Show SMILES Cc1ccccc1\C=C/c1ncc(n1CCOC(=O)c1c[nH]c2ccccc12)[N+]([O-])=O Show InChI InChI=1S/C23H20N4O4/c1-16-6-2-3-7-17(16)10-11-21-25-15-22(27(29)30)26(21)12-13-31-23(28)19-14-24-20-9-5-4-8-18(19)20/h2-11,14-15,24H,12-13H2,1H3/b11-10-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry				Eur J Med Chem 85: 341-51 (2014) Article DOI: 10.1016/j.ejmech.2014.07.082 BindingDB Entry DOI: 10.7270/Q29C7036
					More data for this Ligand-Target Pair