BindingDB PrimarySearch

BDBM50034908 (2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol::(2R,3S)-3-(6-Amino-purin-9-yl)-nonan-2-ol::(2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol::(EHNA)3-(6-Amino-purin-9-yl)-nonan-2-ol::3-(6-Amino-purin-9-yl)-nonan-2-ol::3-(6-Amino-purin-9-yl)-nonan-2-ol(EHNA)::CHEMBL50378

SMILES: CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=IOSAAWHGJUZBOG-MNOVXSKESA-N

Data: 14 KI 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50034908
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 deaminase (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	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 the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit calf intestinal adenosine deaminase (ADA); No data				J Med Chem 25: 603-5 (1982) Checked by Author BindingDB Entry DOI: 10.7270/Q26M35WJ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Binding affinity (Ki) at calf intestinal adenosine deaminase.				J Med Chem 35: 4180-4 (1992) Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118
University of Rhode Island Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Inhibition constant (Ki) against Human erythrocyte adenosine deaminase				J Med Chem 31: 390-3 (1988) BindingDB Entry DOI: 10.7270/Q2X067M7
Universit£ di Camerino Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7	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 calf intestine adenosine deaminase enzyme				J Med Chem 27: 274-8 (1984) BindingDB Entry DOI: 10.7270/Q2CR5TW3
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Inhibition of calf intestinal adenosine deaminase				J Med Chem 34: 1187-92 (1991) BindingDB Entry DOI: 10.7270/Q20V8DDM
Universit£ di Camerino Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Inhibition constant (Ki) against calf intestine adenosine deaminase				J Med Chem 31: 390-3 (1988) BindingDB Entry DOI: 10.7270/Q2X067M7
Universit£ di Camerino Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description In vitro innhibition of adenosine deaminase isolated from calf intestine.				J Med Chem 37: 201-5 (1994) BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
Universit£ di Camerino Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity against Adenosine deaminase from calf intestinal mucosa was determined				Bioorg Med Chem Lett 11: 2893-6 (2001) BindingDB Entry DOI: 10.7270/Q28K79MD
University of Maryland Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	455	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 against adenosine A1 receptor from rat brain.				J Med Chem 38: 1720-35 (1995) BindingDB Entry DOI: 10.7270/Q21Z453H
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	500	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 the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 2				J Med Chem 48: 3449-62 (2005) Article DOI: 10.1021/jm040217u BindingDB Entry DOI: 10.7270/Q21G0N2H
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 421 du CNRS Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 2				J Med Chem 40: 1768-70 (1997) Article DOI: 10.1021/jm960827x BindingDB Entry DOI: 10.7270/Q25T3M4T
UPR 421 du CNRS Curated by ChEMBL					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 421 du CNRS Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5				J Med Chem 40: 1768-70 (1997) Article DOI: 10.1021/jm960827x BindingDB Entry DOI: 10.7270/Q25T3M4T
UPR 421 du CNRS Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of human platelet phosphodiesterase 2				Bioorg Med Chem Lett 14: 2847-51 (2004) Article DOI: 10.1016/j.bmcl.2004.03.043 BindingDB Entry DOI: 10.7270/Q2H70F8N
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	635	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human PDE2A				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE2 (unknown origin)				Bioorg Med Chem Lett 23: 3438-42 (2013) Article DOI: 10.1016/j.bmcl.2013.03.072 BindingDB Entry DOI: 10.7270/Q2MP5665
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50034908 ((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol \| (2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	635	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human PDE2A				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair