BDBM50257097 9-Phenethyladenine::9-Phenylethyl-9H-adenine::CHEMBL445696

SMILES: Nc1ncnc2n(CCc3ccccc3)cnc12

InChI Key: InChIKey=MALQBKDZBRRFOM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50257097   

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 A2a (Homo sapiens (Human))	BDBM50257097 (9-Phenethyladenine | 9-Phenylethyl-9H-adenine | CH...) Show SMILES Nc1ncnc2n(CCc3ccccc3)cnc12 Show InChI InChI=1S/C13H13N5/c14-12-11-13(16-8-15-12)18(9-17-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 17: 2812-22 (2009) Article DOI: 10.1016/j.bmc.2009.02.030 BindingDB Entry DOI: 10.7270/Q25Q4X1J
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50257097 (9-Phenethyladenine | 9-Phenylethyl-9H-adenine | CH...) Show SMILES Nc1ncnc2n(CCc3ccccc3)cnc12 Show InChI InChI=1S/C13H13N5/c14-12-11-13(16-8-15-12)18(9-17-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity				Bioorg Med Chem 17: 2812-22 (2009) Article DOI: 10.1016/j.bmc.2009.02.030 BindingDB Entry DOI: 10.7270/Q25Q4X1J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50257097 (9-Phenethyladenine | 9-Phenylethyl-9H-adenine | CH...) Show SMILES Nc1ncnc2n(CCc3ccccc3)cnc12 Show InChI InChI=1S/C13H13N5/c14-12-11-13(16-8-15-12)18(9-17-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 2812-22 (2009) Article DOI: 10.1016/j.bmc.2009.02.030 BindingDB Entry DOI: 10.7270/Q25Q4X1J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50257097 (9-Phenethyladenine | 9-Phenylethyl-9H-adenine | CH...) Show SMILES Nc1ncnc2n(CCc3ccccc3)cnc12 Show InChI InChI=1S/C13H13N5/c14-12-11-13(16-8-15-12)18(9-17-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 17: 2812-22 (2009) Article DOI: 10.1016/j.bmc.2009.02.030 BindingDB Entry DOI: 10.7270/Q25Q4X1J
					More data for this Ligand-Target Pair