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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM82228'   
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
Thromboxane A2 receptor


(MOUSE)
BDBM82228
PNG
(CAS_74034-56-3 | CTA2)
Show SMILES CCCCC[C@H](O)\C=C\C1C[C@H]2C[C@H](C2)[C@@H]1C\C=C/CCCC(O)=O |r,wU:13.13,15.17,5.5,wD:11.14,THB:16:15:14:12,(-7.11,-1.82,;-5.88,-2.75,;-4.45,-2.15,;-3.22,-3.08,;-1.8,-2.49,;-.58,-3.42,;-.77,-4.96,;.84,-2.83,;2.07,-3.75,;3.49,-3.15,;4.6,-3.53,;5.81,-3.07,;7.11,-3,;5.28,-1.7,;5.81,-.53,;4.01,-2.11,;2.99,-.94,;3.5,.5,;2.49,1.68,;.97,1.39,;-.03,2.55,;-1.54,2.26,;-2.55,3.43,;-4.02,3.17,;-2.04,4.96,)|
Show InChI InChI=1S/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17-,18?,19+,20-,21+/m0/s1
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Patents


Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by PDSP Ki Database




Br J Pharmacol 79: 953-64 (1983)


Article DOI: 10.1111/j.1476-5381.1983.tb10541.x
BindingDB Entry DOI: 10.7270/Q2SX6BPF
More data for this
Ligand-Target Pair