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There are 12 purchasable compounds for target: P2X2

Wt: 507.1
BDBM2
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Wt: 425.2
BDBM18136
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Wt: 427.2
BDBM31995
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Wt: 491.1
BDBM86487
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Wt: 715.3
BDBM86488
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Wt: 565.5
BDBM86478
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Wt: 1263.1
BDBM85682
Wt: 1291.2
BDBM50000029
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Wt: 491.1
BDBM50118233
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Wt: 721.8
BDBM50135426
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Wt: 475.1
BDBM50164644
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Wt: 774.1
BDBM50300129

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 2,18136,31995,86487,86488,86478,85682,50000029,50118233,50135426,50164644,50300129   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM86478
PNG
(A-317491)
Show SMILES OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM86488
PNG
(ATP, Bz | CAS_81790-82-1 | NSC_0)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM2
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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14.7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM86487
PNG
(ATP,3'-deoxy | CAS_0 | NSC_0)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@H]1O
Show InChI InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
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22.7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50118233
PNG
(2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) ...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
Show InChI InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
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47.2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM31995
PNG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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67.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50164644
PNG
(2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
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75.6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50300129
PNG
(CHEMBL572528 | CIBACRON BLUE | Cibacron Blue 3Ga)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)
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800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50000029
PNG
(4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6
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854n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50000029
PNG
(4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6
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>1.00E+4n/an/an/an/an/an/an/an/a



Biocentre Niederursel

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50135426
PNG
(CHEMBL130321 | Isoquinoline-5-sulfonic acid 4-[2-[...)
Show SMILES CN(C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM85682
PNG
(CAS_5311315 | NF279 | NSC_5311315)
Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc5ccc(cc5)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)/p-6
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>1.00E+4n/an/an/an/an/an/an/an/a



Biocentre Niederursel

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM18136
PNG
(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 9 hits for monomerid = 2,18136,31995,86487,86488,86478,85682,50000029,50118233,50135426,50164644,50300129
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Thymidine Kinase (TK.dT)

(Human herpesvirus 1)
BDBM2
JPEG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
DrugBank
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CHEBI
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KEGG
MMDB
PC cid
PC sid
-9.034.77-13.86.597.525



Swiss Federal Institute of Technology





J Biol Chem 275: 16139-45 (2000)

Thymidine Kinase (TK.dT)

(Human herpesvirus 1)
BDBM2
JPEG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
DrugBank
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CHEBI
DrugBank
KEGG
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PC cid
PC sid
-9.133.92-13.0n/a7.520



Swiss Federal Institute of Technology





J Biol Chem 275: 16139-45 (2000)

Thymidine Kinase (TK.dT)

(Human herpesvirus 1)
BDBM2
JPEG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
DrugBank
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CHEBI
DrugBank
KEGG
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PC cid
PC sid
-8.933.17-12.1n/a7.515



Swiss Federal Institute of Technology





J Biol Chem 275: 16139-45 (2000)

Thymidine Kinase (TK.dT)

(Human herpesvirus 1)
BDBM2
JPEG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
DrugBank
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CHEBI
DrugBank
KEGG
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PC cid
PC sid
-8.932.84-11.7n/a7.510



Swiss Federal Institute of Technology





J Biol Chem 275: 16139-45 (2000)

tRNA synthetase (GlyRS)

(Bombyx mori)
BDBM2
JPEG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
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PC cid
PC sid
-7.318.81-17.25.407.2024.9



Medical College of Ohio





Biochemistry 42: 5333-40 (2003)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM31995
JPEG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
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CHEBI
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PC cid
PC sid
-6.4510.9-17.34.95810



University College London





J Mol Biol 392: 923-36 (2009)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM31995
JPEG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
GoogleScholar
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CHEBI
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PC cid
PC sid
-6.5211.4-18.04.95815



University College London





J Mol Biol 392: 923-36 (2009)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM31995
JPEG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
GoogleScholar
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CHEBI
KEGG
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PC cid
PC sid
-6.4711.0-17.54.90816



University College London





J Mol Biol 392: 923-36 (2009)

Heat Shock Protein 90 (Hsp90)

(Saccharomyces cerevisiae (Baker s yeast))
BDBM31995
JPEG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
GoogleScholar
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
-6.2610.8-17.14.67820



University College London





J Mol Biol 392: 923-36 (2009)