BDBM50170136 1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL371404

SMILES: CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O

InChI Key: InChIKey=VRCZHWKFFVQSEO-UHFFFAOYSA-N

Data: 9 KI  3 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 12 hits for monomerid = 50170136   

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))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.45	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))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	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 2.7 to 4.4 nM				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 A3 (Homo sapiens (Human))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	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 A1 (Homo sapiens (Human))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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]-DPCPX binding to human adenosine A1 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 A2a (Homo sapiens (Human))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	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))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	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
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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]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 A3 (Homo sapiens (Human))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula...				J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	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))	BDBM50170136 (1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]puri...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18| Show InChI InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3	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