BDBM50037420 CHEMBL114760::{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-acetic acid

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

InChI Key: InChIKey=UJHTWPCTUKHPBY-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 = 50037420   

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))	BDBM50037420 (CHEMBL114760 | {2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC(O)=O)cc1 Show InChI InChI=1S/C21H25N5O6/c1-3-9-25-19-17(20(30)26(10-4-2)21(25)31)23-18(24-19)13-5-7-14(8-6-13)32-12-15(27)22-11-16(28)29/h5-8H,3-4,9-12H2,1-2H3,(H,22,27)(H,23,24)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	73	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))	BDBM50037420 (CHEMBL114760 | {2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC(O)=O)cc1 Show InChI InChI=1S/C21H25N5O6/c1-3-9-25-19-17(20(30)26(10-4-2)21(25)31)23-18(24-19)13-5-7-14(8-6-13)32-12-15(27)22-11-16(28)29/h5-8H,3-4,9-12H2,1-2H3,(H,22,27)(H,23,24)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	455	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)	BDBM50037420 (CHEMBL114760 | {2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC(O)=O)cc1 Show InChI InChI=1S/C21H25N5O6/c1-3-9-25-19-17(20(30)26(10-4-2)21(25)31)23-18(24-19)13-5-7-14(8-6-13)32-12-15(27)22-11-16(28)29/h5-8H,3-4,9-12H2,1-2H3,(H,22,27)(H,23,24)(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.85E+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