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BDBM50247707 CHEMBL454166::N-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl)benzo[d][1,3]dioxole-5-carboxamide

InChI string: InChI=1S/C20H18N2O5/c1-20(2)18(23)17(13-7-11(9-21)3-5-14(13)27-20)22-19(24)12-4-6-15-16(8-12)26-10-25-15/h3-8,17-18,23H,10H2,1-2H3,(H,22,24)/t17-,18+/m1/s1

SMILES: CC1(C)Oc2ccc(cc2[C@@H](NC(=O)c2ccc3OCOc3c2)[C@@H]1O)C#N

InChI Key: InChIKey=LCMULRGEZDKTHJ-MSOLQXFVSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247707   
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)
BDBM50247707
PNG
(CHEMBL454166 | N-((3S,4R)-6-cyano-3-hydroxy-2,2-di...)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H](NC(=O)c2ccc3OCOc3c2)[C@@H]1O)C#N
Show InChI InChI=1S/C20H18N2O5/c1-20(2)18(23)17(13-7-11(9-21)3-5-14(13)27-20)22-19(24)12-4-6-15-16(8-12)26-10-25-15/h3-8,17-18,23H,10H2,1-2H3,(H,22,24)/t17-,18+/m1/s1
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Similars

AffyNet 
Article
PubMed
n/an/an/an/a 810n/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