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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM183112'   
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
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183112
PNG
(US9150546, I-255 | US9688643, I-255 | US9718790, I...)
Show SMILES CC(C)NC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H26ClN5O3/c1-14(2)25-20(30)17-7-11-19(12-8-17)26-21-27-22(31)29(15(3)4)23(32)28(21)13-16-5-9-18(24)10-6-16/h5-12,14-15H,13H2,1-4H3,(H,25,30)(H,26,27,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 520n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183112
PNG
(US9150546, I-255 | US9688643, I-255 | US9718790, I...)
Show SMILES CC(C)NC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H26ClN5O3/c1-14(2)25-20(30)17-7-11-19(12-8-17)26-21-27-22(31)29(15(3)4)23(32)28(21)13-16-5-9-18(24)10-6-16/h5-12,14-15H,13H2,1-4H3,(H,25,30)(H,26,27,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 520n/an/an/an/a7.537



SHIONOGI & CO., LTD.

US Patent


Assay Description
Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683)) was used. The cells were seeded...


US Patent US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair