BDBM50254935 1-Benzyl-8-(2-hydroxy-1-methyl-ethyl)-7-methyl-1H,8Himidazo[2,1-f]purine-2,4-dione::CHEMBL518703

SMILES: CC(CO)n1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21

InChI Key: InChIKey=CWLRKKMZXCWJEO-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50254935   

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))	BDBM50254935 (1-Benzyl-8-(2-hydroxy-1-methyl-ethyl)-7-methyl-1H,...) Show SMILES CC(CO)n1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21 Show InChI InChI=1S/C18H19N5O3/c1-11-8-21-14-15(19-17(21)23(11)12(2)10-24)22(18(26)20-16(14)25)9-13-6-4-3-5-7-13/h3-8,12,24H,9-10H2,1-2H3,(H,20,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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]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 A2a (Homo sapiens (Human))	BDBM50254935 (1-Benzyl-8-(2-hydroxy-1-methyl-ethyl)-7-methyl-1H,...) Show SMILES CC(CO)n1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21 Show InChI InChI=1S/C18H19N5O3/c1-11-8-21-14-15(19-17(21)23(11)12(2)10-24)22(18(26)20-16(14)25)9-13-6-4-3-5-7-13/h3-8,12,24H,9-10H2,1-2H3,(H,20,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 A1 (Homo sapiens (Human))	BDBM50254935 (1-Benzyl-8-(2-hydroxy-1-methyl-ethyl)-7-methyl-1H,...) Show SMILES CC(CO)n1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21 Show InChI InChI=1S/C18H19N5O3/c1-11-8-21-14-15(19-17(21)23(11)12(2)10-24)22(18(26)20-16(14)25)9-13-6-4-3-5-7-13/h3-8,12,24H,9-10H2,1-2H3,(H,20,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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]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 A2b (Homo sapiens (Human))	BDBM50254935 (1-Benzyl-8-(2-hydroxy-1-methyl-ethyl)-7-methyl-1H,...) Show SMILES CC(CO)n1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21 Show InChI InChI=1S/C18H19N5O3/c1-11-8-21-14-15(19-17(21)23(11)12(2)10-24)22(18(26)20-16(14)25)9-13-6-4-3-5-7-13/h3-8,12,24H,9-10H2,1-2H3,(H,20,25,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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