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SMILES: CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCSc12)c1ccccc1

InChI Key: InChIKey=IBBNYQVPCFRLPB-MAUKXSAKSA-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 2 hits for monomerid = 218534   
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 channel subfamily K member 3


(Homo sapiens (Human))
BDBM218534
PNG
(US9284333, 16ks | US9884860, Example 16ks)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCSc12)c1ccccc1 |r|
Show InChI InChI=1S/C22H27N3O2S/c1-3-18(16-9-5-4-6-10-16)23-20(26)17-14-19(25-12-13-28-22(17)25)21(27)24-11-7-8-15(24)2/h4-6,9-10,14-15,18H,3,7-8,11-13H2,1-2H3,(H,23,26)/t15-,18+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/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))
BDBM218534
PNG
(US9284333, 16ks | US9884860, Example 16ks)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCSc12)c1ccccc1 |r|
Show InChI InChI=1S/C22H27N3O2S/c1-3-18(16-9-5-4-6-10-16)23-20(26)17-14-19(25-12-13-28-22(17)25)21(27)24-11-7-8-15(24)2/h4-6,9-10,14-15,18H,3,7-8,11-13H2,1-2H3,(H,23,26)/t15-,18+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/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