BDBM50089339 9-Ethoxy-12a-methyl-1,2,3,3a,3b,4,5,6,10b,11,12,12a-dodecahydro-benzo[3,4]cyclohepta[1,2-e]indene-1,8-diol::CHEMBL78844

SMILES: CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCCc2cc1O

InChI Key: InChIKey=YKWFKECYXRUOES-IFWOZUGISA-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 = 50089339   

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 alpha chain /beta chain (Bos taurus)	BDBM50089339 (9-Ethoxy-12a-methyl-1,2,3,3a,3b,4,5,6,10b,11,12,12...) Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCCc2cc1O Show InChI InChI=1S/C21H30O3/c1-3-24-19-12-16-13(11-18(19)22)5-4-6-15-14(16)9-10-21(2)17(15)7-8-20(21)23/h11-12,14-15,17,20,22-23H,3-10H2,1-2H3/t14?,15?,17?,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of polymerization of purified bovine tubulin				J Med Chem 43: 2419-29 (2000) BindingDB Entry DOI: 10.7270/Q2B56KD4
					More data for this Ligand-Target Pair