BDBM50118229 CHEMBL129841::MRS 2179
SMILES: CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
InChI Key: InChIKey=CCPLITQNIFLYQB-XLPZGREQSA-N
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 |
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P2Y purinoceptor 1 (Meleagris gallopavo) | BDBM50118229 (CHEMBL129841 | MRS 2179) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Antagonist activity at P2Y1 receptor measured as capacity to inhibit 50% of phospholipase C stimulation elicited by 10 nM 2-MeSATP | J Med Chem 41: 183-90 (1998) Article DOI: 10.1021/jm970433l BindingDB Entry DOI: 10.7270/Q2SX6DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GLSynthesis, Inc. Curated by ChEMBL | Assay Description Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base... | Eur J Med Chem 107: 204-18 (2016) Article DOI: 10.1016/j.ejmech.2015.10.055 BindingDB Entry DOI: 10.7270/Q2PN98NM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2Y purinoceptor 1 (Meleagris gallopavo) | BDBM50118229 (CHEMBL129841 | MRS 2179) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 331 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes. | J Med Chem 42: 1625-38 (1999) Article DOI: 10.1021/jm980657j BindingDB Entry DOI: 10.7270/Q28C9WZM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Louis Pasteur Curated by ChEMBL | Assay Description Affinity at P2X purinoceptor 3 (P2X3) and the value is expressed as IC50 | J Med Chem 45: 962-72 (2002) BindingDB Entry DOI: 10.7270/Q2ST7QK0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Louis Pasteur Curated by ChEMBL | Assay Description Affinity at P2X purinoceptor 1 (P2X1) and the value is expressed as IC50 | J Med Chem 45: 962-72 (2002) BindingDB Entry DOI: 10.7270/Q2ST7QK0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2Y purinoceptor 1 (Meleagris gallopavo) | BDBM50118229 (CHEMBL129841 | MRS 2179) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 331 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts | J Med Chem 43: 829-42 (2000) BindingDB Entry DOI: 10.7270/Q2474BJ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 1.30E+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 recombinant rat P2X purinoceptor 3 (P2X3) at 30 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, P2X2 (RAT) | BDBM50118229 (CHEMBL129841 | MRS 2179) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | >1.00E+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 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 | |||||||||||||
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL 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 agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 6 (P2Y6) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y2 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL 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 Evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 2 (P2Y2) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL 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 phospholipase C coupled recombinant human P2Y purinoceptor 4 (P2Y4) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 1.15E+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 receptor P2Y12 (Rattus norvegicus) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL 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 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 (RAT) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Antagonist activity against recombinant rat P2X purinoceptor 4 (P2X4) at 3 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 P2Y1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition concentration required against human Y203A (EL2) mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as r... | J Med Chem 47: 5393-404 (2004) Article DOI: 10.1021/jm049914c BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition concentration required against wild type strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]-MRS2279 as radioligand | J Med Chem 47: 5393-404 (2004) Article DOI: 10.1021/jm049914c BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition concentration required against human Y203F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli... | J Med Chem 47: 5393-404 (2004) Article DOI: 10.1021/jm049914c BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition concentration required against human Y273A mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]-MRS2279 as radiol... | J Med Chem 47: 5393-404 (2004) Article DOI: 10.1021/jm049914c BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition concentration required against human Y306A mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli... | J Med Chem 47: 5393-404 (2004) Article DOI: 10.1021/jm049914c BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition concentration required against human Y306F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli... | J Med Chem 47: 5393-404 (2004) Article DOI: 10.1021/jm049914c BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition concentration required against human Y273F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli... | J Med Chem 47: 5393-404 (2004) Article DOI: 10.1021/jm049914c BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Binding affinity to human P2Y1 receptor | Bioorg Med Chem Lett 18: 3338-43 (2008) Article DOI: 10.1016/j.bmcl.2008.04.028 BindingDB Entry DOI: 10.7270/Q2X34Z95 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a |
Universit£ Louis Pasteur Curated by ChEMBL | Assay Description pA2 value was evaluated against P2Y purinoceptor 1 | J Med Chem 45: 962-72 (2002) BindingDB Entry DOI: 10.7270/Q2ST7QK0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y1 (Homo sapiens (Human)) | BDBM50118229 (CHEMBL129841 | MRS 2179) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Antagonist activity at P2Y1 receptor (unknown origin) | Bioorg Med Chem 26: 366-375 (2018) Article DOI: 10.1016/j.bmc.2017.11.043 BindingDB Entry DOI: 10.7270/Q2NZ8B61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2Y purinoceptor 1 (Meleagris gallopavo) | BDBM50118229 (CHEMBL129841 | MRS 2179) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 330 | 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 |