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BDBM50106237 (3S,4R)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-amide::CHEMBL127885

SMILES: CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12

InChI Key: InChIKey=MSKWAZCFXKMVSS-UXHICEINSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50106237   
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 (Human))
BDBM50106237
PNG
((3S,4R)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C21H27NO5S/c1-5-28(24,25)22(4)19-17-13-16(26-14-15-9-7-6-8-10-15)11-12-18(17)27-21(2,3)20(19)23/h6-13,19-20,23H,5,14H2,1-4H3/t19-,20+/m1/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 400n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair