BDBM50055045 CHEMBL3323243

SMILES: [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccc(C)cc1

InChI Key: InChIKey=JTHRHOZIDJQLSO-RPWUZVMVSA-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 = 50055045   

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)	BDBM50055045 (CHEMBL3323243) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C29H29NO7/c1-15-6-8-16(9-7-15)20-17-12-13-30(2)23(21(17)26(34-5)28-27(20)35-14-36-28)24-18-10-11-19(32-3)25(33-4)22(18)29(31)37-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	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)	BDBM50055045 (CHEMBL3323243) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C29H29NO7/c1-15-6-8-16(9-7-15)20-17-12-13-30(2)23(21(17)26(34-5)28-27(20)35-14-36-28)24-18-10-11-19(32-3)25(33-4)22(18)29(31)37-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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