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BDBM50247818 (3S,4R)-2-(6-Benzenesulfonyl-3-hydroxy-2,2-dimethylchroman-4-yl)-5-chloro-4-benzo[d] isoxazol-3-one::CHEMBL514789

InChI string: InChI=1S/C24H20ClNO6S/c1-24(2)22(27)21(26-23(28)18-12-14(25)8-10-20(18)32-26)17-13-16(9-11-19(17)31-24)33(29,30)15-6-4-3-5-7-15/h3-13,21-22,27H,1-2H3/t21-,22+/m1/s1

SMILES: CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)n1oc2ccc(Cl)cc2c1=O)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=OFJWJKKXIPNEFE-YADHBBJMSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247818   
Target
(Institution)
LigandTarget
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
Sulfonylurea receptor 2, Kir6.2


(Homo sapiens)
BDBM50247818
PNG
((3S,4R)-2-(6-Benzenesulfonyl-3-hydroxy-2,2-dimethy...)
Show SMILES CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)n1oc2ccc(Cl)cc2c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H20ClNO6S/c1-24(2)22(27)21(26-23(28)18-12-14(25)8-10-20(18)32-26)17-13-16(9-11-19(17)31-24)33(29,30)15-6-4-3-5-7-15/h3-13,21-22,27H,1-2H3/t21-,22+/m1/s1
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Similars

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Article
PubMed
n/an/an/an/a 1.56E+3n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Channel opening activity at SUR2B/Kir6.2 potassium ATP channel in human TE671 cells assessed as isometric force by FLIPR


Bioorg Med Chem 17: 855-66 (2009)

More data for this
Ligand-Target Pair