BDBM50513144 CHEMBL4570141

SMILES: COc1cc(cc(OC)c1OC)C1=CCCCc2c1ccc(OC)c2C#N

InChI Key: InChIKey=GQDBWCSAZQSGCR-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 = 50513144   

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)	BDBM50513144 (CHEMBL4570141) Show SMILES COc1cc(cc(OC)c1OC)C1=CCCCc2c1ccc(OC)c2C#N |t:13| Show InChI InChI=1S/C22H23NO4/c1-24-19-10-9-17-15(7-5-6-8-16(17)18(19)13-23)14-11-20(25-2)22(27-4)21(12-14)26-3/h7,9-12H,5-6,8H2,1-4H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...				J Med Chem 62: 5594-5615 (2019) Article DOI: 10.1021/acs.jmedchem.9b00551
					More data for this Ligand-Target Pair