BDBM50500404 CHEMBL3747333

SMILES: COCCn1cc(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc12

InChI Key: InChIKey=PQCMYBMCWKDDCK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50500404   

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
Tubulin beta chain (Sus scrofa)	BDBM50500404 (CHEMBL3747333) Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc12 Show InChI InChI=1S/C21H23N3O4/c1-14(2)28-19-9-8-15(12-22-19)23-21(26)20(25)17-13-24(10-11-27-3)18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sheffield Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 method				J Med Chem 58: 9309-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b01312 BindingDB Entry DOI: 10.7270/Q2Z60S2S
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50500404 (CHEMBL3747333) Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc12 Show InChI InChI=1S/C21H23N3O4/c1-14(2)28-19-9-8-15(12-22-19)23-21(26)20(25)17-13-24(10-11-27-3)18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Sheffield Curated by ChEMBL					Assay Description Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay				J Med Chem 58: 9309-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b01312 BindingDB Entry DOI: 10.7270/Q2Z60S2S
					More data for this Ligand-Target Pair