BDBM50051066 CHEMBL3318074

SMILES: COc1cc(cc(OC)c1OC)C(=O)n1nc(Nc2cccc(C)c2)nc1N

InChI Key: InChIKey=HMGJQUKXGPEUPT-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 = 50051066   

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)	BDBM50051066 (CHEMBL3318074) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(Nc2cccc(C)c2)nc1N Show InChI InChI=1S/C19H21N5O4/c1-11-6-5-7-13(8-11)21-19-22-18(20)24(23-19)17(25)12-9-14(26-2)16(28-4)15(10-12)27-3/h5-10H,1-4H3,(H3,20,21,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization by turbidimetry				J Med Chem 57: 6795-808 (2014) Article DOI: 10.1021/jm5008193 BindingDB Entry DOI: 10.7270/Q26111Z5
					More data for this Ligand-Target Pair