BDBM50048458 CHEMBL130162::N-(2-Amino-ethyl)-2-[4-(6-oxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide

SMILES: CCCN1CN(CCC)C(=O)c2[nH]c(nc12)-c1ccc(OCC(=O)NCCN)cc1

InChI Key: InChIKey=PGNSFKOREZNFHJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50048458   

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))	BDBM50048458 (CHEMBL130162 | N-(2-Amino-ethyl)-2-[4-(6-oxo-1,3-d...) Show SMILES CCCN1CN(CCC)C(=O)c2[nH]c(nc12)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H30N6O3/c1-3-11-26-14-27(12-4-2)21(29)18-20(26)25-19(24-18)15-5-7-16(8-6-15)30-13-17(28)23-10-9-22/h5-8H,3-4,9-14,22H2,1-2H3,(H,23,28)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Tested for the displacement [3H]-PIA from Adenosine A1 receptor in rat brain membrane				J Med Chem 39: 398-406 (1996) Article DOI: 10.1021/jm9504823 BindingDB Entry DOI: 10.7270/Q2M61JBR
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50048458 (CHEMBL130162 | N-(2-Amino-ethyl)-2-[4-(6-oxo-1,3-d...) Show SMILES CCCN1CN(CCC)C(=O)c2[nH]c(nc12)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H30N6O3/c1-3-11-26-14-27(12-4-2)21(29)18-20(26)25-19(24-18)15-5-7-16(8-6-15)30-13-17(28)23-10-9-22/h5-8H,3-4,9-14,22H2,1-2H3,(H,23,28)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement [3H]-CGS-21,680 from Adenosine A2A receptor in rat striatal membrane.				J Med Chem 39: 398-406 (1996) Article DOI: 10.1021/jm9504823 BindingDB Entry DOI: 10.7270/Q2M61JBR
					More data for this Ligand-Target Pair