BindingDB logo
myBDB logout

BDBM50247779 (3S,4R)-4-(6-Chloro-benzo[d]isoxazol-3-ylamino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile::CHEMBL517879

InChI string: InChI=1S/C19H16ClN3O3/c1-19(2)17(24)16(13-7-10(9-21)3-6-14(13)25-19)22-18-12-5-4-11(20)8-15(12)26-23-18/h3-8,16-17,24H,1-2H3,(H,22,23)/t16-,17+/m1/s1

SMILES: CC1(C)Oc2ccc(cc2[C@@H](Nc2noc3cc(Cl)ccc23)[C@@H]1O)C#N

InChI Key: InChIKey=LHXSEOJHGRJAFT-SJORKVTESA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50247779   
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)
BDBM50247779
PNG
((3S,4R)-4-(6-Chloro-benzo[d]isoxazol-3-ylamino)-3-...)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H](Nc2noc3cc(Cl)ccc23)[C@@H]1O)C#N
Show InChI InChI=1S/C19H16ClN3O3/c1-19(2)17(24)16(13-7-10(9-21)3-6-14(13)25-19)22-18-12-5-4-11(20)8-15(12)26-23-18/h3-8,16-17,24H,1-2H3,(H,22,23)/t16-,17+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 6.18E+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