BindingDB logo
myBDB logout

null

SMILES: CC[C@H](CC1(O)C2CC[C@@]3(C)C4C=CCOC[C@]4([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3[C@@]2(C)[C@H](OC(C)=O)C=C1C)c1ccccc1CC

InChI Key: InChIKey=XWMJKGZPIAVDTN-BGLPPHKKSA-N

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 = 50158213   
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
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))		BDBM50158213
PNG
(Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...)
Show SMILES CC[C@H](CC1(O)C2CC[C@@]3(C)C4C=CCOC[C@]4([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3[C@@]2(C)[C@H](OC(C)=O)C=C1C)c1ccccc1CC |c:12,45|
Show InChI InChI=1S/C43H60O10/c1-11-31-16-13-14-17-33(31)32(12-2)23-43(48)25(3)22-36(51-28(6)45)41(10)35(43)19-20-40(9)34-18-15-21-49-24-42(34,26(4)50-27(5)44)39(53-30(8)47)37(38(40)41)52-29(7)46/h13-18,22,26,32,34-39,48H,11-12,19-21,23-24H2,1-10H3/t26-,32-,34?,35?,36-,37+,38?,39+,40+,41-,42-,43?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/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