BDBM50118240 ((2R,3S,4R,5R)-5-(6-amino-2-(hexylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate::CHEMBL130094::HT-AMP
SMILES: CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
InChI Key: InChIKey=MSDFWMVEFNRURX-SDBHATRESA-N
Data: 6 EC50
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) | BDBM50118240 (((2R,3S,4R,5R)-5-(6-amino-2-(hexylthio)-9H-purin-9...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 4.80 | 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 | |||||||||||||
P2Y purinoceptor 1 (Meleagris gallopavo) | BDBM50118240 (((2R,3S,4R,5R)-5-(6-amino-2-(hexylthio)-9H-purin-9...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Bar-Ilan University Curated by ChEMBL | Assay Description Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes | J Med Chem 42: 3636-46 (1999) Article DOI: 10.1021/jm990158y BindingDB Entry DOI: 10.7270/Q2G73FD8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (RAT) | BDBM50118240 (((2R,3S,4R,5R)-5-(6-amino-2-(hexylthio)-9H-purin-9...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 2.00E+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, P2X2 (RAT) | BDBM50118240 (((2R,3S,4R,5R)-5-(6-amino-2-(hexylthio)-9H-purin-9...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 1.80E+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 (P2X4) 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 | |||||||||||||
P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM50118240 (((2R,3S,4R,5R)-5-(6-amino-2-(hexylthio)-9H-purin-9...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 350 | 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 | |||||||||||||
P2X purinoceptor 1 (RAT) | BDBM50118240 (((2R,3S,4R,5R)-5-(6-amino-2-(hexylthio)-9H-purin-9...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 840 | 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 1 (P2X1) at 1 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 |