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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50118230   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50118230 (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	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	96	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
Purinergic receptor P2Y11 (Homo sapiens (Human))	BDBM50118230 (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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	3.27E+4	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay 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...				J Med Chem 58: 8427-43 (2015) BindingDB Entry DOI: 10.7270/Q2736SRG
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50118230 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a
Bar-Ilan University Curated by ChEMBL					Assay 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...				J Med Chem 58: 8427-43 (2015) BindingDB Entry DOI: 10.7270/Q2736SRG
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50118230 (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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 1 (P2X1 )				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
Purinergic, P2X2 (RAT)	BDBM50118230 (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	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonist activity against recombinant rat receptor P2X purinoceptor 2 (P2X2) at 10 uM, expressed in Xenopus oocytes				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
Purinergic receptor P2Y12 (Rattus norvegicus)	BDBM50118230 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	82	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against phospholipase C coupled rat P2Y purinoceptor 12 (P2Y12)				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50118230 (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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Antagonist activity against recombinant human P2X purinoceptor 4 (P2X4)				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
Purinergic receptor P2Y11 (Homo sapiens (Human))	BDBM50118230 (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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonist activity against phospholipase C coupled human P2Y purinoceptor 11 (P2Y11)				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50118230 (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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X3) at 10 uM, expressed in Xenopus oocytes				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair