Found 4 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM320006' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM320006
(3-[(3S)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- et...)Show 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,)| Show InChI InChI=1S/C26H28F3N5O2S/c1-3-21-13-30-24(37-21)18-8-17(9-20(10-18)36-22-14-34-6-4-16(22)5-7-34)23(35)33-15(2)19-11-31-25(32-12-19)26(27,28)29/h8-13,15-16,22H,3-7,14H2,1-2H3,(H,33,35)/t15-,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM320006
(3-[(3S)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- et...)Show 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,)| Show InChI InChI=1S/C26H28F3N5O2S/c1-3-21-13-30-24(37-21)18-8-17(9-20(10-18)36-22-14-34-6-4-16(22)5-7-34)23(35)33-15(2)19-11-31-25(32-12-19)26(27,28)29/h8-13,15-16,22H,3-7,14H2,1-2H3,(H,33,35)/t15-,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Aktiengesellschaft
US Patent
| Assay Description A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat... |
US Patent US10472354 (2019)
BindingDB Entry DOI: 10.7270/Q2KD2197 |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM320006
(3-[(3S)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- et...)Show 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,)| Show InChI InChI=1S/C26H28F3N5O2S/c1-3-21-13-30-24(37-21)18-8-17(9-20(10-18)36-22-14-34-6-4-16(22)5-7-34)23(35)33-15(2)19-11-31-25(32-12-19)26(27,28)29/h8-13,15-16,22H,3-7,14H2,1-2H3,(H,33,35)/t15-,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 US10202369 (2019)
BindingDB Entry DOI: 10.7270/Q2TT4T2P |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM320006
(3-[(3S)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- et...)Show 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,)| Show InChI InChI=1S/C26H28F3N5O2S/c1-3-21-13-30-24(37-21)18-8-17(9-20(10-18)36-22-14-34-6-4-16(22)5-7-34)23(35)33-15(2)19-11-31-25(32-12-19)26(27,28)29/h8-13,15-16,22H,3-7,14H2,1-2H3,(H,33,35)/t15-,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 | |