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SMILES: COc1ccc(C)c(n1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Cl)cc3)CC2C1

InChI Key: InChIKey=LFPZVWHVFXUWFL-UHFFFAOYSA-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 = 413565   
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 9


(Homo sapiens (Human))
BDBM413565
PNG
(US10414765, Example 49)
Show SMILES COc1ccc(C)c(n1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Cl)cc3)CC2C1
Show InChI InChI=1S/C28H28ClN5O2/c1-18-6-11-25(36-2)31-26(18)28(35)33-15-20-13-32(14-21(20)16-33)17-23-27(19-7-9-22(29)10-8-19)30-24-5-3-4-12-34(23)24/h3-12,20-21H,13-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 4.60n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels Via Two-Electrode Voltage Clamp Technique in Xenopus laevis OocytesSub...


US Patent US10414765 (2019)


BindingDB Entry DOI: 10.7270/Q2QJ7KNV
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM413565
PNG
(US10414765, Example 49)
Show SMILES COc1ccc(C)c(n1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Cl)cc3)CC2C1
Show InChI InChI=1S/C28H28ClN5O2/c1-18-6-11-25(36-2)31-26(18)28(35)33-15-20-13-32(14-21(20)16-33)17-23-27(19-7-9-22(29)10-8-19)30-24-5-3-4-12-34(23)24/h3-12,20-21H,13-17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 94n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels Via Two-Electrode Voltage Clamp Technique in Xenopus laevis OocytesSub...


US Patent US10414765 (2019)


BindingDB Entry DOI: 10.7270/Q2QJ7KNV
More data for this
Ligand-Target Pair