BindingDB PrimarySearch

BDBM50088426 (1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol::3-(6-Amino-purin-9-yl)-5-hydroxymethyl-cyclopentane-1,2-diol::CHEMBL49935

SMILES: Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=UGRNVLGKAGREKS-GCXDCGAKSA-N

Data: 7 KI 4 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50088426
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against S-adenosyl-homocysteine hydrolase				J Med Chem 28: 471-7 (1985) BindingDB Entry DOI: 10.7270/Q21C1XF3
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes				J Med Chem 43: 2196-203 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1MM5
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	6.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor				J Med Chem 43: 2196-203 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1MM5
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine deaminase (Mus musculus)	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for competitive inhibition of adenosine deaminase and expressed as Ki				J Med Chem 27: 1358-60 (1984) BindingDB Entry DOI: 10.7270/Q2Z60N3K
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in CHO cells				J Med Chem 43: 2196-203 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1MM5
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	4.73E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells				J Med Chem 43: 2196-203 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1MM5
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably trans...				J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human AHCY using SAH as substrate assessed as formation of homocysteine after 10 mins				Bioorg Med Chem Lett 24: 2737-40 (2014) Article DOI: 10.1016/j.bmcl.2014.04.034 BindingDB Entry DOI: 10.7270/Q2VM4DTT
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human SAHH				Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0
Gifu University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
NS5 (Zika virus)	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...				J Med Chem 62: 6346-6362 (2019) Article DOI: 10.1021/acs.jmedchem.9b00781
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Plasmodium falciparum 3D7)	BDBM50088426 ((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SAHH				Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0
Gifu University Curated by ChEMBL					More data for this Ligand-Target Pair