BindingDB logo
myBDB logout

BDBM314215 US9611232, Example 7

SMILES: NC(=O)CN1[C@@H](c2ccc(F)cc2)C(OC1=O)(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=XWNOUAOTNUVPPW-NRFANRHFSA-N

Data: 1 IC50

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 = 314215   
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
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM314215
PNG
(US9611232, Example 7)
Show SMILES NC(=O)CN1[C@@H](c2ccc(F)cc2)C(OC1=O)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H17F3N2O3/c24-17-7-1-14(2-8-17)21-23(15-3-9-18(25)10-4-15,16-5-11-19(26)12-6-16)31-22(30)28(21)13-20(27)29/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 45n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were tested using a PatchXpress® (Model 7000A, Molecular Devices, Union City Calif.) on CHO cells over-expressing h KCa3.1 at ChanTest Corp...


US Patent US9611232 (2017)


BindingDB Entry DOI: 10.7270/Q2P84DZM
More data for this
Ligand-Target Pair