BDBM50099583 5-isopropenyloxy-1b,3a,10b-trimethyl-2,3-di(methylcarbonyloxy)-5a-(1-methylcarbonyloxyethyl)-14-methylene-1a-methyloxycarbonyl-8-oxo-1a,1b,2,3,3a,3b,4,5,5a,6,8,10a,10b,11,12,12a,12b,13,14,14a-icosahydrooxireno[3',2':7,8]chryseno[2,1-c]oxepin-4-ylaceta::CHEMBL290227

SMILES: COC(=O)[C@@]12O[C@@H]1C(=C)CC1[C@@H]3CC[C@@]4(C)[C@@H]5C=CC(=O)OC[C@]5([C@@H](C)OC(C)=O)[C@@H](OC(C)=C)[C@@H](OC(C)=O)[C@@H]4[C@@]3(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C

InChI Key: InChIKey=VBCYJMDXVYKTHI-SMYFPHPLSA-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 = 50099583   

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
Voltage-gated potassium channel (Homo sapiens (Human))	BDBM50099583 (5-isopropenyloxy-1b,3a,10b-trimethyl-2,3-di(methyl...) Show SMILES COC(=O)[C@@]12O[C@@H]1C(=C)CC1[C@@H]3CC[C@@]4(C)[C@@H]5C=CC(=O)OC[C@]5([C@@H](C)OC(C)=O)[C@@H](OC(C)=C)[C@@H](OC(C)=O)[C@@H]4[C@@]3(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C |c:18| Show InChI InChI=1S/C41H54O14/c1-19(2)50-33-30(52-23(6)43)31-37(9,28-13-14-29(46)49-18-40(28,33)21(4)51-22(5)42)16-15-26-27-17-20(3)32-41(55-32,36(47)48-12)39(27,11)35(54-25(8)45)34(38(26,31)10)53-24(7)44/h13-14,21,26-28,30-35H,1,3,15-18H2,2,4-12H3/t21-,26+,27?,28+,30+,31+,32-,33+,34-,35+,37+,38+,39+,40-,41+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of voltage-gated potassium channel subunit Kv1.3 transfected CHO cells				J Med Chem 44: 1627-53 (2001) BindingDB Entry DOI: 10.7270/Q218376D
					More data for this Ligand-Target Pair