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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily A member 3' and Ligand = 'BDBM50158220'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50158220
PNG
(Aceticacid(R)-1-[(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...)
Show SMILES C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(CCc4ccccc4C)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O |c:10,32|
Show InChI InChI=1S/C40H54O10/c1-23-13-10-11-14-30(23)16-19-40(45)24(2)21-33(48-27(5)42)38(9)32(40)17-18-37(8)31-15-12-20-46-22-39(31,25(3)47-26(4)41)36(50-29(7)44)34(35(37)38)49-28(6)43/h10-15,21,25,31-36,45H,16-20,22H2,1-9H3/t25-,31?,32?,33-,34+,35?,36+,37+,38-,39-,40?/m1/s1
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PC cid
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Similars

Article
PubMed
n/an/a 41n/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
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50158220
PNG
(Aceticacid(R)-1-[(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...)
Show SMILES C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(CCc4ccccc4C)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O |c:10,32|
Show InChI InChI=1S/C40H54O10/c1-23-13-10-11-14-30(23)16-19-40(45)24(2)21-33(48-27(5)42)38(9)32(40)17-18-37(8)31-15-12-20-46-22-39(31,25(3)47-26(4)41)36(50-29(7)44)34(35(37)38)49-28(6)43/h10-15,21,25,31-36,45H,16-20,22H2,1-9H3/t25-,31?,32?,33-,34+,35?,36+,37+,38-,39-,40?/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 194n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against voltage-gated potassium channel subunit Kv1.3 of human T 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