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BDBM218253 US9284333, 16c

InChI string: InChI=1/C24H27ClF3N3O3/c1-3-19(15-6-7-17(18(25)11-15)24(26,27)28)29-22(32)16-12-20(31-9-10-34-13-21(16)31)23(33)30-8-4-5-14(30)2/h6-7,11-12,14,19H,3-5,8-10,13H2,1-2H3,(H,29,32)/t14-,19+/s2

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

InChI Key: InChIKey=JCBZELCVZUFNOM-RUZQKAKONA-N

Data: 2 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 2 hits for monomerid = 218253   
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
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM218253
PNG
(US9284333, 16c)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(c(Cl)c1)C(F)(F)F
Show InChI InChI=1/C24H27ClF3N3O3/c1-3-19(15-6-7-17(18(25)11-15)24(26,27)28)29-22(32)16-12-20(31-9-10-34-13-21(16)31)23(33)30-8-4-5-14(30)2/h6-7,11-12,14,19H,3-5,8-10,13H2,1-2H3,(H,29,32)/t14-,19+/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 13n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM218253
PNG
(US9284333, 16c)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(c(Cl)c1)C(F)(F)F
Show InChI InChI=1/C24H27ClF3N3O3/c1-3-19(15-6-7-17(18(25)11-15)24(26,27)28)29-22(32)16-12-20(31-9-10-34-13-21(16)31)23(33)30-8-4-5-14(30)2/h6-7,11-12,14,19H,3-5,8-10,13H2,1-2H3,(H,29,32)/t14-,19+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



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)

More data for this
Ligand-Target Pair