BindingDB PrimarySearch

BDBM59208 Adenosine analog, 13

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12

InChI Key: InChIKey=HBTMNVJREDWGSK-KSVNGYGVSA-N

Data: 7 KI 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 59208
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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM59208 (Adenosine analog, 13) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	78.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
National Institutes of Health					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM59208 (Adenosine analog, 13) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
National Institutes of Health					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM59208 (Adenosine analog, 13) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	246	-9.01	n/a	n/a	n/a	n/a	n/a	7.4	25
National Institutes of Health					Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
National Institutes of Health					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM59208 (Adenosine analog, 13) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.59E+3	-7.62	n/a	n/a	n/a	n/a	n/a	7.4	25
National Institutes of Health					Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
National Institutes of Health					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM59208 (Adenosine analog, 13) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.47E+3	-7.44	n/a	n/a	n/a	n/a	n/a	7.4	25
National Institutes of Health					Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
National Institutes of Health					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM59208 (Adenosine analog, 13) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
National Institutes of Health					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM59208 (Adenosine analog, 13) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-5.45	n/a	n/a	n/a	n/a	n/a	7.4	25
National Institutes of Health					Assay Description Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
National Institutes of Health					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM59208 (Adenosine analog, 13) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description Binding affinity of ligand at human adenosine receptors expressed in CHO cell.				Chem Biol 12: 237-47 (2005) Article DOI: 10.1016/j.chembiol.2004.12.010 BindingDB Entry DOI: 10.7270/Q2P26WK5
National Institutes of Health					More data for this Ligand-Target Pair