BDBM50308506 3-(4-aminophenethyl)-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL591235

SMILES: CCCn1c(=O)n(CCc2ccc(N)cc2)c2ncn(CCN(CC)CCO)c2c1=O

InChI Key: InChIKey=VNYUXHOJOYUEEJ-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 = 50308506   

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 (Homo sapiens (Human))	BDBM50308506 (3-(4-aminophenethyl)-7-(2-(ethyl(2-hydroxyethyl)am...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2ncn(CCN(CC)CCO)c2c1=O Show InChI InChI=1S/C22H32N6O3/c1-3-10-28-21(30)19-20(24-16-26(19)13-12-25(4-2)14-15-29)27(22(28)31)11-9-17-5-7-18(23)8-6-17/h5-8,16,29H,3-4,9-15,23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50308506 (3-(4-aminophenethyl)-7-(2-(ethyl(2-hydroxyethyl)am...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2ncn(CCN(CC)CCO)c2c1=O Show InChI InChI=1S/C22H32N6O3/c1-3-10-28-21(30)19-20(24-16-26(19)13-12-25(4-2)14-15-29)27(22(28)31)11-9-17-5-7-18(23)8-6-17/h5-8,16,29H,3-4,9-15,23H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO cells				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50308506 (3-(4-aminophenethyl)-7-(2-(ethyl(2-hydroxyethyl)am...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2ncn(CCN(CC)CCO)c2c1=O Show InChI InChI=1S/C22H32N6O3/c1-3-10-28-21(30)19-20(24-16-26(19)13-12-25(4-2)14-15-29)27(22(28)31)11-9-17-5-7-18(23)8-6-17/h5-8,16,29H,3-4,9-15,23H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
					More data for this Ligand-Target Pair