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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 527.8
BDBM458972

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM458972
PNG
((4-{[2-(4-Bromophenyl)imidazo[1,2-a]pyridin-3-yl]m...)
Show SMILES Fc1ccc(Cl)c(c1)C(=O)N1CCN(Cc2c(nc3ccccn23)-c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C25H21BrClFN4O/c26-18-6-4-17(5-7-18)24-22(32-10-2-1-3-23(32)29-24)16-30-11-13-31(14-12-30)25(33)20-15-19(28)8-9-21(20)27/h1-10,15H,11-14,16H2
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 360n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were carried out using stably transfected CHO cells. Here, the com...


US Patent US10759794 (2020)


BindingDB Entry DOI: 10.7270/Q2KK9FW6
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM458972
PNG
((4-{[2-(4-Bromophenyl)imidazo[1,2-a]pyridin-3-yl]m...)
Show SMILES Fc1ccc(Cl)c(c1)C(=O)N1CCN(Cc2c(nc3ccccn23)-c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C25H21BrClFN4O/c26-18-6-4-17(5-7-18)24-22(32-10-2-1-3-23(32)29-24)16-30-11-13-31(14-12-30)25(33)20-15-19(28)8-9-21(20)27/h1-10,15H,11-14,16H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were carried out using stably transfected CHO cells. Here, the com...


US Patent US10759794 (2020)


BindingDB Entry DOI: 10.7270/Q2KK9FW6
More data for this
Ligand-Target Pair