BDBM50221686 9-(2-(4-chlorophenoxy)ethyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione::CHEMBL391718

SMILES: Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O

InChI Key: InChIKey=PFBOTKATPZUABQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50221686   

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))	BDBM50221686 (9-(2-(4-chlorophenoxy)ethyl)-1,3-dimethyl-6,7,8,9-...) Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20ClN5O3/c1-21-15-14(16(25)22(2)18(21)26)24-9-3-8-23(17(24)20-15)10-11-27-13-6-4-12(19)5-7-13/h4-7H,3,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane				Bioorg Med Chem 15: 6956-74 (2007) Article DOI: 10.1016/j.bmc.2007.07.051 BindingDB Entry DOI: 10.7270/Q26W99TB
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50221686 (9-(2-(4-chlorophenoxy)ethyl)-1,3-dimethyl-6,7,8,9-...) Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20ClN5O3/c1-21-15-14(16(25)22(2)18(21)26)24-9-3-8-23(17(24)20-15)10-11-27-13-6-4-12(19)5-7-13/h4-7H,3,8-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 15: 6956-74 (2007) Article DOI: 10.1016/j.bmc.2007.07.051 BindingDB Entry DOI: 10.7270/Q26W99TB
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50221686 (9-(2-(4-chlorophenoxy)ethyl)-1,3-dimethyl-6,7,8,9-...) Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20ClN5O3/c1-21-15-14(16(25)22(2)18(21)26)24-9-3-8-23(17(24)20-15)10-11-27-13-6-4-12(19)5-7-13/h4-7H,3,8-11H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells				Bioorg Med Chem 15: 6956-74 (2007) Article DOI: 10.1016/j.bmc.2007.07.051 BindingDB Entry DOI: 10.7270/Q26W99TB
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50221686 (9-(2-(4-chlorophenoxy)ethyl)-1,3-dimethyl-6,7,8,9-...) Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20ClN5O3/c1-21-15-14(16(25)22(2)18(21)26)24-9-3-8-23(17(24)20-15)10-11-27-13-6-4-12(19)5-7-13/h4-7H,3,8-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membrane				Bioorg Med Chem 15: 6956-74 (2007) Article DOI: 10.1016/j.bmc.2007.07.051 BindingDB Entry DOI: 10.7270/Q26W99TB
					More data for this Ligand-Target Pair