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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 2' and Ligand = 'BDBM320073'   
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 2


(Homo sapiens (Human))
BDBM320073
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
Show InChI InChI=1S/C23H26N4O3S/c1-4-20-12-24-23(31-20)17-9-16(10-19(11-17)30-18-7-8-29-13-18)22(28)25-15(3)21-6-5-14(2)26-27-21/h5-6,9-12,15,18H,4,7-8,13H2,1-3H3,(H,25,28)/t15-,18-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320073
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
Show InChI InChI=1S/C23H26N4O3S/c1-4-20-12-24-23(31-20)17-9-16(10-19(11-17)30-18-7-8-29-13-18)22(28)25-15(3)21-6-5-14(2)26-27-21/h5-6,9-12,15,18H,4,7-8,13H2,1-3H3,(H,25,28)/t15-,18-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair