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SMILES: COc1cccc(c1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Br)cc3)CC2C1

InChI Key: InChIKey=KQMBLPMJQMCZNL-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 4 hits for monomerid = 413513   
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))
BDBM413513
PNG
(US10414765, Example 10)
Show SMILES COc1cccc(c1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Br)cc3)CC2C1
Show InChI InChI=1S/C28H27BrN4O2/c1-35-24-6-4-5-20(13-24)28(34)32-16-21-14-31(15-22(21)17-32)18-25-27(19-8-10-23(29)11-9-19)30-26-7-2-3-12-33(25)26/h2-13,21-22H,14-18H2,1H3
PDB

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n/an/a 31.2n/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 9


(Homo sapiens (Human))
BDBM413513
PNG
(US10414765, Example 10)
Show SMILES COc1cccc(c1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Br)cc3)CC2C1
Show InChI InChI=1S/C28H27BrN4O2/c1-35-24-6-4-5-20(13-24)28(34)32-16-21-14-31(15-22(21)17-32)18-25-27(19-8-10-23(29)11-9-19)30-26-7-2-3-12-33(25)26/h2-13,21-22H,14-18H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
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US Patent
n/an/a 485n/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))
BDBM413513
PNG
(US10414765, Example 10)
Show SMILES COc1cccc(c1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Br)cc3)CC2C1
Show InChI InChI=1S/C28H27BrN4O2/c1-35-24-6-4-5-20(13-24)28(34)32-16-21-14-31(15-22(21)17-32)18-25-27(19-8-10-23(29)11-9-19)30-26-7-2-3-12-33(25)26/h2-13,21-22H,14-18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 206n/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 9


(Homo sapiens (Human))
BDBM413513
PNG
(US10414765, Example 10)
Show SMILES COc1cccc(c1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Br)cc3)CC2C1
Show InChI InChI=1S/C28H27BrN4O2/c1-35-24-6-4-5-20(13-24)28(34)32-16-21-14-31(15-22(21)17-32)18-25-27(19-8-10-23(29)11-9-19)30-26-7-2-3-12-33(25)26/h2-13,21-22H,14-18H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 970n/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