BDBM50118230 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE::ADPbetaS::CHEMBL335206::adenosine-5'-O-beta-thiodiphosphate

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O

InChI Key InChIKey=HCIKUKNAJRJFOW-KQYNXXCUSA-N

Data  9 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50118230   

TargetP2Y purinoceptor 1(Meleagris gallopavo)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118230(5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADEN...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
Affinity DataEC50:  96nMAssay Description:Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytesMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 11(Homo sapiens (Human))
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118230(5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADEN...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
Affinity DataEC50:  3.27E+4nMAssay Description:Agonist activity at GFP-tagged human P2Y11R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-bas...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118230(5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADEN...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
Affinity DataEC50:  1.27E+3nMAssay Description:Agonist activity at GFP-tagged human P2Y1R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-base...More data for this Ligand-Target Pair
TargetP2X purinoceptor 1(Homo sapiens (Human))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118230(5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADEN...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
Affinity DataEC50:  2.50E+3nMAssay Description:The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 1 (P2X1 )More data for this Ligand-Target Pair
TargetP2X purinoceptor 2(RAT)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118230(5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADEN...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
Affinity DataEC50:  1.00E+5nMAssay Description:The compound was evaluated for antagonist activity against recombinant rat receptor P2X purinoceptor 2 (P2X2) at 10 uM, expressed in Xenopus oocytesMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 12(Rattus norvegicus)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118230(5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADEN...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
Affinity DataEC50:  82nMAssay Description:Antagonist activity against phospholipase C coupled rat P2Y purinoceptor 12 (P2Y12)More data for this Ligand-Target Pair
TargetP2X purinoceptor 4(Homo sapiens (Human))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118230(5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADEN...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
Affinity DataEC50:  2.50E+4nMAssay Description:Antagonist activity against recombinant human P2X purinoceptor 4 (P2X4)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 11(Homo sapiens (Human))
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118230(5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADEN...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
Affinity DataEC50:  3.00E+4nMAssay Description:The compound was evaluated for antagonist activity against phospholipase C coupled human P2Y purinoceptor 11 (P2Y11)More data for this Ligand-Target Pair
TargetP2X purinoceptor 3(Homo sapiens (Human))
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118230(5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADEN...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
Affinity DataEC50:  8.80E+3nMAssay Description:The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X3) at 10 uM, expressed in Xenopus oocytesMore data for this Ligand-Target Pair