BDBM50056755 CHEMBL3331009

SMILES: COc1cccc(\C=C/c2ncc(n2CCOC(=O)c2c[nH]c3ccccc23)[N+]([O-])=O)c1

InChI Key: InChIKey=NKYCQCIKONDOSE-KTKRTIGZSA-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 = 50056755   

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)	BDBM50056755 (CHEMBL3331009) Show SMILES COc1cccc(\C=C/c2ncc(n2CCOC(=O)c2c[nH]c3ccccc23)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H20N4O5/c1-31-17-6-4-5-16(13-17)9-10-21-25-15-22(27(29)30)26(21)11-12-32-23(28)19-14-24-20-8-3-2-7-18(19)20/h2-10,13-15,24H,11-12H2,1H3/b10-9-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.77E+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