BDBM22926 3-(6-amino-9H-purin-9-yl)nonan-2-ol::EHNA::Erythro-9-(2-hydroxy-3-nonyl)adenine

SMILES: CCCCCCC(C(C)O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=IOSAAWHGJUZBOG-UHFFFAOYSA-N

Data: 4 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 22926   

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
Adenosine deaminase (Homo sapiens (Human))	BDBM22926 (3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...) Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	37	-10.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				Bioorg Med Chem Lett 13: 1115-8 (2003) Article DOI: 10.1016/S0960-894X(03)00026-X BindingDB Entry DOI: 10.7270/Q29Z936D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM22926 (3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...) Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM22926 (3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...) Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
ADORA3 (RAT)	BDBM22926 (3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...) Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Phosphodiesterase (TcrPDEC) (Trypanosoma cruzi)	BDBM22926 (3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...) Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	24
University of North Carolina					Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.				J Biol Chem 287: 11788-97 (2012) Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM22926 (3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...) Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	7.5	24
University of North Carolina					Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.				J Biol Chem 287: 11788-97 (2012) Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D
					More data for this Ligand-Target Pair