Reaction Details Report a problem with these data
Target
P2X purinoceptor 3
Ligand
BDBM320006
Substrate
n/a
Meas. Tech.
Intracellular Calcium Measurement to Assess Antagonist Activity at Human P2X3 and Human P2X2/3 Receptors
IC50
5.00±n/a nM
Citation
 Davenport, AJ; Bräuer, N; Fischer, OM; Rotgeri, A; Rottmann, A; Neagoe, I; Nagel, J; Godinho-Coelho, A; Klar, J 1,3-thiazol-2-yl substituted benzamides US Patent  US10174016 Publication Date 1/8/2019 
Target
Name:
P2X purinoceptor 3
Synonyms:
ATP receptor | Glucocorticoid receptor | P2RX3 | P2RX3_HUMAN | P2X purinoceptor 3 | P2X purinoceptor 3 (P2RX3) | P2X purinoceptor 3 (P2X3) | P2X3 | P2X3 purinoceptor | Purinergic receptor | p2x3 + hsa
Type:
Protein
Mol. Mass.:
44292.02
Organism:
Homo sapiens (Human)
Description:
P56373
Residue:
397
Sequence:
MNCISDFFTYETTKSVVVKSWTIGIINRVVQLLIISYFVGWVFLHEKAYQVRDTAIESSVVTKVKGSGLYANRVMDVSDYVTPPQGTSVFVIITKMIVTENQMQGFCPESEEKYRCVSDSQCGPERLPGGGILTGRCVNYSSVLRTCEIQGWCPTEVDTVETPIMMEAENFTIFIKNSIRFPLFNFEKGNLLPNLTARDMKTCRFHPDKDPFCPILRVGDVVKFAGQDFAKLARTGGVLGIKIGWVCDLDKAWDQCIPKYSFTRLDSVSEKSSVSPGYNFRFAKYYKMENGSEYRTLLKAFGIRFDVLVYGNAGKFNIIPTIISSVAAFTSVGVGTVLCDIILLNFLKGADQYKAKKFEEVNETTLKIAALTNPVYPSDQTTAEKQSTDSGAFSIGH
  
Inhibitor
Name:
BDBM320006
Synonyms:
3-[(3S)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- ethyl-1,3-thiazol- 2-yl)-N-{(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl}benzamide | US10174016, Example 173 | US10202369, Example 173 | US10472354, Example 173
Type:
Small organic molecule
Emp. Form.:
C26H28F3N5O2S
Mol. Mass.:
531.593
SMILES:
CCc1cnc(s1)-c1cc(O[C@@H]2CN3CCC2CC3)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r,wU:11.11,wD:25.29,(-9.22,5.52,;-7.68,5.52,;-6.91,4.19,;-7.82,2.95,;-6.91,1.7,;-5.45,2.18,;-5.45,3.72,;-4.11,1.41,;-4.11,-.13,;-2.78,-.9,;-2.78,-2.44,;-1.45,-3.21,;-1.45,-4.75,;-.11,-5.52,;1.22,-4.75,;1.22,-3.21,;-.11,-2.44,;.66,-3.78,;-.88,-4.19,;-1.45,-.13,;-1.45,1.41,;-2.78,2.18,;-.11,2.18,;-.11,3.72,;1.22,1.41,;2.55,2.18,;2.55,3.72,;3.89,1.41,;3.89,-.13,;5.22,-.9,;6.56,-.13,;6.56,1.41,;5.22,2.18,;7.89,-.9,;7.89,-2.44,;9.22,-.13,;9.22,-1.67,)|
Structure:
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