BDBM50133367 CHEMBL341777::N-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenoxy-acetamide

SMILES: O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=PXLNNXUUFHRPRE-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50133367   

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 (Homo sapiens (Human))	BDBM50133367 (CHEMBL341777 | N-(2-Furan-2-yl-8-phenethyl-8H-pyra...) Show SMILES O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C26H21N7O3/c34-22(17-36-19-10-5-2-6-11-19)27-26-29-23-20(16-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15-16H,13-14,17H2,(H,27,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50133367 (CHEMBL341777 | N-(2-Furan-2-yl-8-phenethyl-8H-pyra...) Show SMILES O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C26H21N7O3/c34-22(17-36-19-10-5-2-6-11-19)27-26-29-23-20(16-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15-16H,13-14,17H2,(H,27,29,30,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK-293 cells				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50133367 (CHEMBL341777 | N-(2-Furan-2-yl-8-phenethyl-8H-pyra...) Show SMILES O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C26H21N7O3/c34-22(17-36-19-10-5-2-6-11-19)27-26-29-23-20(16-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15-16H,13-14,17H2,(H,27,29,30,34)	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	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-ZM-241,385 from human adenosine A2A receptors expressed in HEK-293 cells				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50133367 (CHEMBL341777 | N-(2-Furan-2-yl-8-phenethyl-8H-pyra...) Show SMILES O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C26H21N7O3/c34-22(17-36-19-10-5-2-6-11-19)27-26-29-23-20(16-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15-16H,13-14,17H2,(H,27,29,30,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor				Bioorg Med Chem Lett 21: 2898-905 (2011) Article DOI: 10.1016/j.bmcl.2011.03.073 BindingDB Entry DOI: 10.7270/Q2VH5P5Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50133367 (CHEMBL341777 | N-(2-Furan-2-yl-8-phenethyl-8H-pyra...) Show SMILES O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C26H21N7O3/c34-22(17-36-19-10-5-2-6-11-19)27-26-29-23-20(16-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15-16H,13-14,17H2,(H,27,29,30,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-MRE3008-F20 from human A3 receptors expressed in HEK-293 cells				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50133367 (CHEMBL341777 | N-(2-Furan-2-yl-8-phenethyl-8H-pyra...) Show SMILES O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C26H21N7O3/c34-22(17-36-19-10-5-2-6-11-19)27-26-29-23-20(16-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15-16H,13-14,17H2,(H,27,29,30,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Trieste Curated by ChEMBL					Assay Description Inhibitory activity against NECA stimulated cAMP accumulation in CHO cells expressing human adenosine A2B receptor				J Med Chem 46: 4287-96 (2003) Article DOI: 10.1021/jm030852k BindingDB Entry DOI: 10.7270/Q2348JRF
					More data for this Ligand-Target Pair