BDBM50060952 (1S,3aS,3bR,10bS,12aS)-8-Bromo-1-hydroxy-12a-methyl-2,3,3a,3b,4,5,10b,11,12,12a-decahydro-1H-cyclohepta[a]cyclopenta[f]naphthalen-7-one::CHEMBL340408

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(=O)c(Br)ccc34)[C@@H]1CC[C@@H]2O

InChI Key: InChIKey=LPTWBZPOULARPE-GVYRHCHYSA-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 = 50060952   

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 (Bos taurus)	BDBM50060952 ((1S,3aS,3bR,10bS,12aS)-8-Bromo-1-hydroxy-12a-methy...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(=O)c(Br)ccc34)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C19H23BrO2/c1-19-9-8-13-12-4-6-16(20)17(21)10-11(12)2-3-14(13)15(19)5-7-18(19)22/h4,6,10,13-15,18,22H,2-3,5,7-9H2,1H3/t13-,14-,15+,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization				J Med Chem 40: 3836-41 (1997) Article DOI: 10.1021/jm970323e BindingDB Entry DOI: 10.7270/Q2W09522
					More data for this Ligand-Target Pair