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BDBM50247785 (3S,4R)-4-(5-Chloro-benzo[d]isoxazol-3-ylamino)-6-(3-fluoro-benzenesulfonyl)-2,2-dimethyl-chroman-3-ol::CHEMBL473749

InChI string: InChI=1S/C24H20ClFN2O5S/c1-24(2)22(29)21(27-23-18-10-13(25)6-8-20(18)33-28-23)17-12-16(7-9-19(17)32-24)34(30,31)15-5-3-4-14(26)11-15/h3-12,21-22,29H,1-2H3,(H,27,28)/t21-,22+/m1/s1

SMILES: CC1(C)Oc2ccc(cc2[C@@H](Nc2noc3ccc(Cl)cc23)[C@@H]1O)S(=O)(=O)c1cccc(F)c1

InChI Key: InChIKey=FFFFDRTWHXOYSL-YADHBBJMSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247785   
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)
BDBM50247785
PNG
((3S,4R)-4-(5-Chloro-benzo[d]isoxazol-3-ylamino)-6-...)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H](Nc2noc3ccc(Cl)cc23)[C@@H]1O)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C24H20ClFN2O5S/c1-24(2)22(29)21(27-23-18-10-13(25)6-8-20(18)33-28-23)17-12-16(7-9-19(17)32-24)34(30,31)15-5-3-4-14(26)11-15/h3-12,21-22,29H,1-2H3,(H,27,28)/t21-,22+/m1/s1
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PC cid
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Article
PubMed
n/an/an/an/a 7.77E+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


Citation and Details
More data for this
Ligand-Target Pair