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BDBM218506 US9284333, 16jq::US9884860, Example 16jq

SMILES: CC[C@H](NC(=O)c1cc(C(=O)N[C@H](C(C)C)c2ccc(F)cc2)c2COCCn12)c1ccccc1

InChI Key: InChIKey=IAAMTFHGHKGGAN-JYFHCDHNSA-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 = 218506   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM218506
PNG
(US9284333, 16jq | US9884860, Example 16jq)
Show SMILES CC[C@H](NC(=O)c1cc(C(=O)N[C@H](C(C)C)c2ccc(F)cc2)c2COCCn12)c1ccccc1
Show InChI InChI=1S/C28H32FN3O3/c1-4-23(19-8-6-5-7-9-19)30-28(34)24-16-22(25-17-35-15-14-32(24)25)27(33)31-26(18(2)3)20-10-12-21(29)13-11-20/h5-13,16,18,23,26H,4,14-15,17H2,1-3H3,(H,30,34)(H,31,33)/t23-,26+/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 67n/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 protein TASK-1


(Homo sapiens (Human))
BDBM218506
PNG
(US9284333, 16jq | US9884860, Example 16jq)
Show SMILES CC[C@H](NC(=O)c1cc(C(=O)N[C@H](C(C)C)c2ccc(F)cc2)c2COCCn12)c1ccccc1
Show InChI InChI=1S/C28H32FN3O3/c1-4-23(19-8-6-5-7-9-19)30-28(34)24-16-22(25-17-35-15-14-32(24)25)27(33)31-26(18(2)3)20-10-12-21(29)13-11-20/h5-13,16,18,23,26H,4,14-15,17H2,1-3H3,(H,30,34)(H,31,33)/t23-,26+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 67n/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