BDBM50021083 CHEMBL265739::N-(2-Acetylamino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide

SMILES: CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(C)=O)cc1

InChI Key: InChIKey=WKANSFWPAYNJLJ-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 = 50021083   

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))	BDBM50021083 (CHEMBL265739 | N-(2-Acetylamino-ethyl)-2-[4-(2,6-d...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(C)=O)cc1 Show InChI InChI=1S/C23H30N6O5/c1-4-12-28-21-19(22(32)29(13-5-2)23(28)33)26-20(27-21)16-6-8-17(9-7-16)34-14-18(31)25-11-10-24-15(3)30/h6-9H,4-5,10-14H2,1-3H3,(H,24,30)(H,25,31)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.				J Med Chem 28: 1334-40 (1985) BindingDB Entry DOI: 10.7270/Q22Z14HN
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Homo sapiens (Human))	BDBM50021083 (CHEMBL265739 | N-(2-Acetylamino-ethyl)-2-[4-(2,6-d...) Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(C)=O)cc1 Show InChI InChI=1S/C23H30N6O5/c1-4-12-28-21-19(22(32)29(13-5-2)23(28)33)26-20(27-21)16-6-8-17(9-7-16)34-14-18(31)25-11-10-24-15(3)30/h6-9H,4-5,10-14H2,1-3H3,(H,24,30)(H,25,31)(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.				J Med Chem 28: 1334-40 (1985) BindingDB Entry DOI: 10.7270/Q22Z14HN
					More data for this Ligand-Target Pair