BDBM50170139 1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-isopropyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL188269

SMILES: CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C

InChI Key: InChIKey=ASWLMOCIKJHRAO-UHFFFAOYSA-N

Data: 6 KI  2 IC50

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 8 hits for monomerid = 50170139   

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 A3 (Homo sapiens (Human))	BDBM50170139 (1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C Show InChI InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 10281-94 (2008) Article DOI: 10.1016/j.bmc.2008.10.049 BindingDB Entry DOI: 10.7270/Q2CZ3715
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170139 (1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C Show InChI InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 25 to 38				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170139 (1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C Show InChI InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 10281-94 (2008) Article DOI: 10.1016/j.bmc.2008.10.049 BindingDB Entry DOI: 10.7270/Q2CZ3715
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170139 (1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C Show InChI InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-DPCPX binding to human A1 receptors expressed in CHO cells; range is 424 to 498				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170139 (1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C Show InChI InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 16: 10281-94 (2008) Article DOI: 10.1016/j.bmc.2008.10.049 BindingDB Entry DOI: 10.7270/Q2CZ3715
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170139 (1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C Show InChI InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM 241385 binding to human adenosine A2a receptor expressed in CHO cells				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50170139 (1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C Show InChI InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of 100 nM NECA-stimulated cAMP production in CHO cells expressing human adenosine A2B receptor				J Med Chem 48: 4697-701 (2005) Article DOI: 10.1021/jm058008c BindingDB Entry DOI: 10.7270/Q2MC8ZJS
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50170139 (1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C Show InChI InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human cloned adenosine A2B cells expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP production				Bioorg Med Chem 16: 10281-94 (2008) Article DOI: 10.1016/j.bmc.2008.10.049 BindingDB Entry DOI: 10.7270/Q2CZ3715
					More data for this Ligand-Target Pair