BDBM50094697 1-[2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea::CHEMBL145734

SMILES: COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1

InChI Key: InChIKey=VQYJAIHIXOQQPT-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50094697   

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))	BDBM50094697 (1-[2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyr...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C30H24N8O3/c1-40-22-13-11-21(12-14-22)31-30(39)34-29-33-26-24(28-32-27(36-38(28)29)25-10-5-17-41-25)18-37(35-26)16-15-20-8-4-7-19-6-2-3-9-23(19)20/h2-14,17-18H,15-16H2,1H3,(H2,31,33,34,35,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Padova Curated by ChEMBL					Assay Description Binding affinity for human adenosine A3 receptor				J Med Chem 48: 152-62 (2005) Article DOI: 10.1021/jm049662f BindingDB Entry DOI: 10.7270/Q2183609
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094697 (1-[2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyr...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C30H24N8O3/c1-40-22-13-11-21(12-14-22)31-30(39)34-29-33-26-24(28-32-27(36-38(28)29)25-10-5-17-41-25)18-37(35-26)16-15-20-8-4-7-19-6-2-3-9-23(19)20/h2-14,17-18H,15-16H2,1H3,(H2,31,33,34,35,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 14-19				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094697 (1-[2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyr...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C30H24N8O3/c1-40-22-13-11-21(12-14-22)31-30(39)34-29-33-26-24(28-32-27(36-38(28)29)25-10-5-17-41-25)18-37(35-26)16-15-20-8-4-7-19-6-2-3-9-23(19)20/h2-14,17-18H,15-16H2,1H3,(H2,31,33,34,35,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human adenosine A3 receptor				Citation and Details Article DOI: 10.1007/s00044-013-0849-0 BindingDB Entry DOI: 10.7270/Q22Z18GV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50094697 (1-[2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyr...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C30H24N8O3/c1-40-22-13-11-21(12-14-22)31-30(39)34-29-33-26-24(28-32-27(36-38(28)29)25-10-5-17-41-25)18-37(35-26)16-15-20-8-4-7-19-6-2-3-9-23(19)20/h2-14,17-18H,15-16H2,1H3,(H2,31,33,34,35,39)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A2b receptor expressed in CHO cells				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50094697 (1-[2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyr...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C30H24N8O3/c1-40-22-13-11-21(12-14-22)31-30(39)34-29-33-26-24(28-32-27(36-38(28)29)25-10-5-17-41-25)18-37(35-26)16-15-20-8-4-7-19-6-2-3-9-23(19)20/h2-14,17-18H,15-16H2,1H3,(H2,31,33,34,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Tested for inhibitory activity against human adenosine A1 receptor by displacement of [3H]-DPCPX expressed in CHO cells ; value ranges from 2362-2575				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50094697 (1-[2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyr...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C30H24N8O3/c1-40-22-13-11-21(12-14-22)31-30(39)34-29-33-26-24(28-32-27(36-38(28)29)25-10-5-17-41-25)18-37(35-26)16-15-20-8-4-7-19-6-2-3-9-23(19)20/h2-14,17-18H,15-16H2,1H3,(H2,31,33,34,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 2826-3761				J Med Chem 43: 4768-80 (2000) BindingDB Entry DOI: 10.7270/Q2D21WWT
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094697 (1-[2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyr...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C30H24N8O3/c1-40-22-13-11-21(12-14-22)31-30(39)34-29-33-26-24(28-32-27(36-38(28)29)25-10-5-17-41-25)18-37(35-26)16-15-20-8-4-7-19-6-2-3-9-23(19)20/h2-14,17-18H,15-16H2,1H3,(H2,31,33,34,35,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair