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Compile Data Set for Download or QSAR

Found 218 hits with Last Name = 'abdelrahman' and Initial = 'a'   
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
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50364063
PNG
(CHEMBL1950649)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC
Show InChI InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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5.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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13.6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatum


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatum


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (human))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50385634
PNG
(CHEMBL2043295)
Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1
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44.4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatum


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50370141
PNG
(TNP-ATP)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C2OC3(OC12)C(=C[C-](C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/q-1
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49n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive antagonist activity at human P2X4 receptor expressed in 1321N1 cell membrane assessed as inhibition of [35S]ATPgammaS binding by scintill...


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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114n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human recombinant adenosine A3 receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50385632
PNG
(CHEMBL2043427)
Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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152n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatum


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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289n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50385634
PNG
(CHEMBL2043295)
Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1
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360n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50385632
PNG
(CHEMBL2043427)
Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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404n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50385634
PNG
(CHEMBL2043295)
Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1
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541n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50385631
PNG
(CHEMBL2043426)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1
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545n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50385634
PNG
(CHEMBL2043295)
Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50385632
PNG
(CHEMBL2043427)
Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50385632
PNG
(CHEMBL2043427)
Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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1.01E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50385631
PNG
(CHEMBL2043426)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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1.89E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation assay


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50385633
PNG
(CHEMBL2043428)
Show SMILES Nc1nc(SCC(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15N5O6S/c13-9-6-10(16-12(15-9)24-2-5(19)20)17(3-14-6)11-8(22)7(21)4(1-18)23-11/h3-4,7-8,11,18,21-22H,1-2H2,(H,19,20)(H2,13,15,16)/t4-,7-,8-,11-/m1/s1
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1.93E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50385633
PNG
(CHEMBL2043428)
Show SMILES Nc1nc(SCC(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15N5O6S/c13-9-6-10(16-12(15-9)24-2-5(19)20)17(3-14-6)11-8(22)7(21)4(1-18)23-11/h3-4,7-8,11,18,21-22H,1-2H2,(H,19,20)(H2,13,15,16)/t4-,7-,8-,11-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50385631
PNG
(CHEMBL2043426)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50385631
PNG
(CHEMBL2043426)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50385631
PNG
(CHEMBL2043426)
Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatum


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation assay


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50385634
PNG
(CHEMBL2043295)
Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation assay


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50385632
PNG
(CHEMBL2043427)
Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation assay


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50385632
PNG
(CHEMBL2043427)
Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50385634
PNG
(CHEMBL2043295)
Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50385633
PNG
(CHEMBL2043428)
Show SMILES Nc1nc(SCC(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15N5O6S/c13-9-6-10(16-12(15-9)24-2-5(19)20)17(3-14-6)11-8(22)7(21)4(1-18)23-11/h3-4,7-8,11,18,21-22H,1-2H2,(H,19,20)(H2,13,15,16)/t4-,7-,8-,11-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50385633
PNG
(CHEMBL2043428)
Show SMILES Nc1nc(SCC(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15N5O6S/c13-9-6-10(16-12(15-9)24-2-5(19)20)17(3-14-6)11-8(22)7(21)4(1-18)23-11/h3-4,7-8,11,18,21-22H,1-2H2,(H,19,20)(H2,13,15,16)/t4-,7-,8-,11-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor


ACS Med Chem Lett 2: 890-895 (2011)


Article DOI: 10.1021/ml200189u
BindingDB Entry DOI: 10.7270/Q20R9QF4
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399165
PNG
(CHEMBL2180137)
Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
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n/an/a 189n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...


Bioorg Med Chem 22: 1077-88 (2014)


Article DOI: 10.1016/j.bmc.2013.12.035
BindingDB Entry DOI: 10.7270/Q21R6S09
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399165
PNG
(CHEMBL2180137)
Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
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n/an/a 189n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM50399190
PNG
(CHEMBL2180149)
Show SMILES OC1(c2ccccc2)c2ccccc2N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H21NO/c28-26(21-13-5-2-6-14-21)22-15-7-9-17-24(22)27(19-20-11-3-1-4-12-20)25-18-10-8-16-23(25)26/h1-18,28H,19H2
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n/an/a 429n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X3 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399207
PNG
(CHEMBL2180179)
Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21
Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)
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n/an/a 500n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 1


(HUMAN)
BDBM50399190
PNG
(CHEMBL2180149)
Show SMILES OC1(c2ccccc2)c2ccccc2N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H21NO/c28-26(21-13-5-2-6-14-21)22-15-7-9-17-24(22)27(19-20-11-3-1-4-12-20)25-18-10-8-16-23(25)26/h1-18,28H,19H2
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n/an/a 602n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X1 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(RAT)
BDBM50399183
PNG
(CHEMBL2180160)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
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n/an/a 928n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399163
PNG
(CHEMBL2180139)
Show SMILES Clc1ccc(COC(=O)N2c3ccccc3Oc3ccccc23)cc1
Show InChI InChI=1S/C20H14ClNO3/c21-15-11-9-14(10-12-15)13-24-20(23)22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12H,13H2
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50399190
PNG
(CHEMBL2180149)
Show SMILES OC1(c2ccccc2)c2ccccc2N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H21NO/c28-26(21-13-5-2-6-14-21)22-15-7-9-17-24(22)27(19-20-11-3-1-4-12-20)25-18-10-8-16-23(25)26/h1-18,28H,19H2
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n/an/a 1.27E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50370141
PNG
(TNP-ATP)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C2OC3(OC12)C(=C[C-](C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/q-1
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n/an/a 1.28E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399183
PNG
(CHEMBL2180160)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50399183
PNG
(CHEMBL2180160)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
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n/an/a 1.76E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50399165
PNG
(CHEMBL2180137)
Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
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n/an/a 1.77E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399175
PNG
(CHEMBL2180171)
Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C21H18N2O2/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a 1.87E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
P2X purinoceptor 1


(HUMAN)
BDBM50399172
PNG
(CHEMBL2180174)
Show SMILES CCCN(CCC)C(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C19H22N2O2/c1-3-13-20(14-4-2)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3
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n/an/a 2.02E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X1 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)


Article DOI: 10.1021/jm300845v
BindingDB Entry DOI: 10.7270/Q2XK8GPN
More data for this
Ligand-Target Pair
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