BDBM50500401 CHEMBL3746593

SMILES: COc1ccc(NC(=O)C(=O)c2cn(CC3CCCO3)c3ccccc23)cn1

InChI Key: InChIKey=LVQWUIBSUCHLDV-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 = 50500401   

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)	BDBM50500401 (CHEMBL3746593) Show SMILES COc1ccc(NC(=O)C(=O)c2cn(CC3CCCO3)c3ccccc23)cn1 Show InChI InChI=1S/C21H21N3O4/c1-27-19-9-8-14(11-22-19)23-21(26)20(25)17-13-24(12-15-5-4-10-28-15)18-7-3-2-6-16(17)18/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	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
Tubulin beta chain (Sus scrofa)	BDBM50500401 (CHEMBL3746593) Show SMILES COc1ccc(NC(=O)C(=O)c2cn(CC3CCCO3)c3ccccc23)cn1 Show InChI InChI=1S/C21H21N3O4/c1-27-19-9-8-14(11-22-19)23-21(26)20(25)17-13-24(12-15-5-4-10-28-15)18-7-3-2-6-16(17)18/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30E+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