BDBM50060839 5-Phenyl-pentanoic acid [(R)-5-(6-amino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl]-amide::CHEMBL122345

SMILES: Nc1ncnc2n(cnc12)C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O

InChI Key: InChIKey=UJEDGPKFDAGKNP-LYSMVYBYSA-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 = 50060839   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50060839 (5-Phenyl-pentanoic acid [(R)-5-(6-amino-purin-9-yl...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O Show InChI InChI=1S/C21H26N6O4/c22-19-17-20(24-11-23-19)27(12-25-17)21-18(30)16(14(10-28)31-21)26-15(29)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16,18,21,28,30H,4-5,8-10H2,(H,26,29)(H2,22,23,24)/t14?,16-,18?,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060839 (5-Phenyl-pentanoic acid [(R)-5-(6-amino-purin-9-yl...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O Show InChI InChI=1S/C21H26N6O4/c22-19-17-20(24-11-23-19)27(12-25-17)21-18(30)16(14(10-28)31-21)26-15(29)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16,18,21,28,30H,4-5,8-10H2,(H,26,29)(H2,22,23,24)/t14?,16-,18?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060839 (5-Phenyl-pentanoic acid [(R)-5-(6-amino-purin-9-yl...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O Show InChI InChI=1S/C21H26N6O4/c22-19-17-20(24-11-23-19)27(12-25-17)21-18(30)16(14(10-28)31-21)26-15(29)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16,18,21,28,30H,4-5,8-10H2,(H,26,29)(H2,22,23,24)/t14?,16-,18?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair