BDBM50056748 CHEMBL3331002

SMILES: [O-][N+](=O)c1cnc(\C=C/c2ccccc2[N+]([O-])=O)n1CCOC(=O)c1c[nH]c2ccccc12

InChI Key: InChIKey=MMHPZJIEUOSIDD-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 = 50056748   

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)	BDBM50056748 (CHEMBL3331002) Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2[N+]([O-])=O)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17N5O6/c28-22(17-13-23-18-7-3-2-6-16(17)18)33-12-11-25-20(24-14-21(25)27(31)32)10-9-15-5-1-4-8-19(15)26(29)30/h1-10,13-14,23H,11-12H2/b10-9-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	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