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Compile Data Set for Download or QSAR

Found 838 hits Enz. Inhib. hit(s) with all data for entry = 1425   
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))
BDBM319931
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320216
PNG
(3-{[4,4- difluoro-1- methylpiperidin- 3-yl]methoxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320093
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320102
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(2R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320111
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM322397
PNG
(US10183937, Example 208 | US10202369, Example 208)
Show SMILES C[C@H](NC(=O)c1cc(OC2CCNC(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319932
PNG
(N-[(1R)-1-(6- Methyl- pyridazin-3- yl)ethyl]-3- (5...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320016
PNG
(Trans Isomer 1; 3- {[3-hydroxybutan- 2-yl]oxy}-5-(...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320075
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319936
PNG
(3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319928
PNG
(N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...)
Show SMILES CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320052
PNG
(3-{[(4aS,7S, 7aR)-4- methylocta- hydro- cyclopenta...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@H]2CC[C@H]3[C@H]2OCCN3C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320216
PNG
(3-{[4,4- difluoro-1- methylpiperidin- 3-yl]methoxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM322574
PNG
(US10183937, Example 385 | US10202369, Example 385)
Show SMILES C[C@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319996
PNG
(US10174016, Example 163 | US10202369, Example 340)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM322412
PNG
(US10183937, Example 223 | US10202369, Example 223)
Show SMILES C[C@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319914
PNG
(N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...)
Show SMILES CC(NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319958
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...)
Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319962
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-5-(tetrahydro-2H-pyra...)
Show SMILES CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
PDB

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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319841
PNG
(3-(Cyclopropylmethoxy)-N-[(1R)-1-(6-methylpyridazi...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319903
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5-[(3S)- tetrahydr...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319898
PNG
(N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...)
Show SMILES CC(NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320165
PNG
(3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319906
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5-[(3R)- tetrahydr...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM322523
PNG
(US10183937, Example 334 | US10202369, Example 334)
Show SMILES C[C@H](NC(=O)c1cc(OCC2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320091
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320117
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(2S)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM322394
PNG
(3-(5-methyl-1,3-thiazol-2-yl)-5-(piperidin-3-yloxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCCNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320045
PNG
(3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- m...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM322411
PNG
(3-(5-methyl-1,3-thiazol-2-yl)-5-{[1-methyl-2-(trif...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)C(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319891
PNG
(3-(5-Methyl-1,3-thiazol-2-yl)-5-[(2S)-tetrahydrofu...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319896
PNG
(3-(5-Methyl-1,3-thiazol-2-yl)-5-[(2R)-tetrahydrofu...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320017
PNG
(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319834
PNG
(3-(Cyclopropylmethoxy)-5-(5-methyl-1,3-thiazol-2-y...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319839
PNG
(N-[1-(5-Chloro-3-fluoropyridin-2-yl)ethyl]-3-(cycl...)
Show SMILES CC(NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320165
PNG
(3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320162
PNG
(3-[(2-methyltetrahydrofuran-2-yl)methoxy]-5-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320172
PNG
(3-[(3-hydroxybutan-2-yl)oxy]-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)[C@H](C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319995
PNG
(3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiaz...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM322546
PNG
(US10183937, Example 357 | US10202369, Example 357)
Show SMILES C[C@H](NC(=O)c1cc(OCC2(F)CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320210
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320136
PNG
(3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM322396
PNG
(3-(5-methyl-1,3-thiazol-2-yl)-5-{[2-(trifluorometh...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCNC(C2)C(F)(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320046
PNG
(3-{[1- (dimethylamino) cyclopropyl] methoxy}- 5-(5...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(CC2)N(C)C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320061
PNG
(Ethyl (3S)-3-[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1...)
Show SMILES CCOC(=O)N1CC[C@@H](C1)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320084
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320173
PNG
(US10174016, Example 340)
Show SMILES CC(O)[C@@H](C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320006
PNG
(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,)|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320017
PNG
(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
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US Patent US10183937 (2019)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
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