BDBM50112189 2-(6-Cyclopentylamino-purin-9-yl)-5-methyl-tetrahydro-furan-3,4-diol::CHEMBL54468

SMILES: C[C@H]1O[C@H]([C@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=RGIGEXFJZVCYJT-ZBTLEPIDSA-N

Data: 3 KI

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 3 hits for monomerid = 50112189   

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 receptor A1 (Rattus norvegicus (rat))	BDBM50112189 (2-(6-Cyclopentylamino-purin-9-yl)-5-methyl-tetrahy...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11+,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description GTP-induced shift at rat Adenosine A1 receptor (A1AR)				J Med Chem 45: 1845-52 (2002) BindingDB Entry DOI: 10.7270/Q20001DD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50112189 (2-(6-Cyclopentylamino-purin-9-yl)-5-methyl-tetrahy...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11+,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Binding affinity at rat Adenosine A1 receptor in the absence of GTP				J Med Chem 45: 1845-52 (2002) BindingDB Entry DOI: 10.7270/Q20001DD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50112189 (2-(6-Cyclopentylamino-purin-9-yl)-5-methyl-tetrahy...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11+,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Binding affinity at rat Adenosine A1 receptor in the presence of GTP				J Med Chem 45: 1845-52 (2002) BindingDB Entry DOI: 10.7270/Q20001DD
					More data for this Ligand-Target Pair