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BDBM50099567 (3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-amide::CHEMBL44297::Ethanesulfonic acid (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-amide

SMILES: CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N

InChI Key: InChIKey=HVSJHHXUORMCGK-KGLIPLIRSA-N

Data: 5 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50099567   
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 beta subunit Mink/subunit Kv7.1


(Homo sapiens)
BDBM50099567
PNG
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 2)


J Med Chem 44: 3831-7 (2001)


Article DOI: 10.1021/jm0109255
BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens)
BDBM50099567
PNG
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1
PDB

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DrugBank
GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 4.45E+4n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 1)


J Med Chem 44: 3831-7 (2001)


Article DOI: 10.1021/jm0109255
BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1


(Cavia porcellus)
BDBM50099567
PNG
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1
UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes


J Med Chem 47: 1303-14 (2004)


Article DOI: 10.1021/jm030480f
BindingDB Entry DOI: 10.7270/Q2FN16X5
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens)
BDBM50099567
PNG
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1
PDB
MMDB

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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The inhibitory concentration for 50% was measured on potassium channel complex


J Med Chem 44: 1627-53 (2001)


Article DOI: 10.1021/jm000484+
BindingDB Entry DOI: 10.7270/Q218376D
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1


(Cavia porcellus)
BDBM50099567
PNG
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined


J Med Chem 47: 1303-14 (2004)


Article DOI: 10.1021/jm030480f
BindingDB Entry DOI: 10.7270/Q2FN16X5
More data for this
Ligand-Target Pair