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BDBM50158205 Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy--hydroxy-1-[2-(4-methoxy-phenyl)-ethyl]-2,4a,11b-trimethyl-,2,3,4,4a,4b,5,6,9,11a,11b,12,13,13a-tetradecahydro-8-oxa-cyclohepta[a]phenanthren-6a-yl}-ethyl ester::CHEMBL361828

SMILES: COc1ccc(CCC2(O)C3CC[C@@]4(C)C5C=CCOC[C@]5([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C4[C@@]3(C)[C@H](OC(C)=O)C=C2C)cc1

InChI Key: InChIKey=UEZSOFRLSYMBSH-BQXCMVMISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50158205   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Voltage-gated potassium channel


(Homo sapiens (Human))		BDBM50158205
PNG
(Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...)
Show SMILES COc1ccc(CCC2(O)C3CC[C@@]4(C)C5C=CCOC[C@]5([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C4[C@@]3(C)[C@H](OC(C)=O)C=C2C)cc1 |c:16,49|
Show InChI InChI=1S/C40H54O11/c1-23-21-33(49-26(4)42)38(8)32(40(23,45)19-16-29-12-14-30(46-9)15-13-29)17-18-37(7)31-11-10-20-47-22-39(31,24(2)48-25(3)41)36(51-28(6)44)34(35(37)38)50-27(5)43/h10-15,21,24,31-36,45H,16-20,22H2,1-9H3/t24-,31?,32?,33-,34+,35?,36+,37+,38-,39-,40?/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated potassium channel subunit Kv1.3 in chinese hamster ovary cells

Bioorg Med Chem Lett 15: 447-51 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.058
BindingDB Entry DOI: 10.7270/Q2BP0281
More data for this
Ligand-Target Pair