BDBM50037438 CHEMBL112669::{[(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethylcarbamoyl)-methyl]-amino}-acetic acid

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNCC(O)=O)cc1

InChI Key: InChIKey=DLIFOYBZSVXZFZ-UHFFFAOYSA-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 = 50037438   

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))	BDBM50037438 (CHEMBL112669 | {[(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNCC(O)=O)cc1 Show InChI InChI=1S/C25H33N7O7/c1-3-11-31-23-21(24(37)32(12-4-2)25(31)38)29-22(30-23)16-5-7-17(8-6-16)39-15-19(34)28-10-9-27-18(33)13-26-14-20(35)36/h5-8,26H,3-4,9-15H2,1-2H3,(H,27,33)(H,28,34)(H,29,30)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	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 of [3H]-PIA from adenosine A1 receptors of rat brain membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50037438 (CHEMBL112669 | {[(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNCC(O)=O)cc1 Show InChI InChI=1S/C25H33N7O7/c1-3-11-31-23-21(24(37)32(12-4-2)25(31)38)29-22(30-23)16-5-7-17(8-6-16)39-15-19(34)28-10-9-27-18(33)13-26-14-20(35)36/h5-8,26H,3-4,9-15H2,1-2H3,(H,27,33)(H,28,34)(H,29,30)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	157	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 of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50037438 (CHEMBL112669 | {[(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNCC(O)=O)cc1 Show InChI InChI=1S/C25H33N7O7/c1-3-11-31-23-21(24(37)32(12-4-2)25(31)38)29-22(30-23)16-5-7-17(8-6-16)39-15-19(34)28-10-9-27-18(33)13-26-14-20(35)36/h5-8,26H,3-4,9-15H2,1-2H3,(H,27,33)(H,28,34)(H,29,30)(H,35,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80E+4	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 of [125I]-AB-MECA from membranes of CHO cells stably transfected with the rat adenosine A3 receptor cDNA				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair