BDBM50055042 CHEMBL3323242

SMILES: [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1

InChI Key: InChIKey=AQPMWHZCQXTYCJ-PKTZIBPZSA-N

Data: 3 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 3 hits for monomerid = 50055042   

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)	BDBM50055042 (CHEMBL3323242) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1 |r| Show InChI InChI=1S/C28H27NO7/c1-29-13-12-16-19(15-8-6-5-7-9-15)26-27(35-14-34-26)25(33-4)20(16)22(29)23-17-10-11-18(31-2)24(32-3)21(17)28(30)36-23/h5-11,22-23H,12-14H2,1-4H3/t22-,23+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Displacement of [3H]colchicine from bovine brain tubulin assessed as rate of assembly after 10 mins by liquid scintillation counting				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055042 (CHEMBL3323242) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1 |r| Show InChI InChI=1S/C28H27NO7/c1-29-13-12-16-19(15-8-6-5-7-9-15)26-27(35-14-34-26)25(33-4)20(16)22(29)23-17-10-11-18(31-2)24(32-3)21(17)28(30)36-23/h5-11,22-23H,12-14H2,1-4H3/t22-,23+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055042 (CHEMBL3323242) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1 |r| Show InChI InChI=1S/C28H27NO7/c1-29-13-12-16-19(15-8-6-5-7-9-15)26-27(35-14-34-26)25(33-4)20(16)22(29)23-17-10-11-18(31-2)24(32-3)21(17)28(30)36-23/h5-11,22-23H,12-14H2,1-4H3/t22-,23+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair