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SMILES: CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=HHOVMBFTSSHMBV-MGPUTAFESA-N

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 3 hits for monomerid = 218254   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM218254
PNG
(US9284333, 16d | US9884860, Example 16d)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C24H27ClN4O3/c1-3-20(16-6-7-17(13-26)19(25)11-16)27-23(30)18-12-21(29-9-10-32-14-22(18)29)24(31)28-8-4-5-15(28)2/h6-7,11-12,15,20H,3-5,8-10,14H2,1-2H3,(H,27,30)/t15-,20+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
The effect of compounds of the formula I on the cloned human cardiac hERG channel was evaluated in an in vitro model using a whole-cell patch-clampin...


US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM218254
PNG
(US9284333, 16d | US9884860, Example 16d)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C24H27ClN4O3/c1-3-20(16-6-7-17(13-26)19(25)11-16)27-23(30)18-12-21(29-9-10-32-14-22(18)29)24(31)28-8-4-5-15(28)2/h6-7,11-12,15,20H,3-5,8-10,14H2,1-2H3,(H,27,30)/t15-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM218254
PNG
(US9284333, 16d | US9884860, Example 16d)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C24H27ClN4O3/c1-3-20(16-6-7-17(13-26)19(25)11-16)27-23(30)18-12-21(29-9-10-32-14-22(18)29)24(31)28-8-4-5-15(28)2/h6-7,11-12,15,20H,3-5,8-10,14H2,1-2H3,(H,27,30)/t15-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair