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PubMed code 12431066

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50409654
PNG
(CHEMBL2021421)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP([O-])(=O)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C10H17BClN5O12P3/c11-30(20,28-32(24,25)29-31(21,22)23)26-1-3-5(18)6(19)9(27-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1H2,11H3,(H,24,25)(H2,13,15,16)(H2,21,22,23)/q-1/p-3/t3-,5-,6-,9-,30?/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)

J Med Chem 45: 5384-96 (2002)


BindingDB Entry DOI: 10.7270/Q2M909DD
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50267999
PNG
(({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP([O-])(=O)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C11H20BN5O12P3S/c1-33-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(27-10)2-26-30(12,20)28-32(24,25)29-31(21,22)23/h3-4,6-7,10,18-19H,2H2,1,12H3,(H,24,25)(H2,13,15,16)(H2,21,22,23)/q-1/p-3/t4-,6-,7-,10-,30?/m1/s1
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n/an/an/an/a 2.60n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)

J Med Chem 45: 5384-96 (2002)


BindingDB Entry DOI: 10.7270/Q2M909DD
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50422408
PNG
(CHEMBL2364736)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/p-4/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 4.5n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)

J Med Chem 45: 5384-96 (2002)


BindingDB Entry DOI: 10.7270/Q2M909DD
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50422407
PNG
(CHEMBL2364735)
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 |r|
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)/p-4/t4-,6-,7-,10-/m1/s1
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MCE
KEGG
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UniChem

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n/an/an/an/a 2n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)

J Med Chem 45: 5384-96 (2002)


BindingDB Entry DOI: 10.7270/Q2M909DD
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50370180
PNG
(CHEMBL607612)
Show SMILES C[B-](C)(C)P(=O)(OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C13H24BN5O12P3/c1-14(2,3)32(22,30-34(26,27)31-33(23,24)25)28-4-7-9(20)10(21)13(29-7)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,4H2,1-3H3,(H,26,27)(H2,15,16,17)(H2,23,24,25)/q-1/t7-,9-,10-,13?,32?/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)

J Med Chem 45: 5384-96 (2002)


BindingDB Entry DOI: 10.7270/Q2M909DD
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50422406
PNG
(2-Chloroadenosine Triphosphate Tetrasodium | CHEMB...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/p-4/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 3.60n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)

J Med Chem 45: 5384-96 (2002)


BindingDB Entry DOI: 10.7270/Q2M909DD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%