BDBM50064700 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenol::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-phenol::CHEMBL67026

SMILES: Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=AXDUXMMFIPBLRQ-UHFFFAOYSA-N

Data: 11 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 12 hits for monomerid = 50064700   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.940	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]-CGS- 21680 from rat striatal membranes Adenosine A2A receptor. Parenthesis indicate 95% confidence limits.				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Padova Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in CHO cells				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 2740-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.082 BindingDB Entry DOI: 10.7270/Q2RV0P0B
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM				Bioorg Med Chem Lett 20: 5690-4 (2010) Article DOI: 10.1016/j.bmcl.2010.08.021 BindingDB Entry DOI: 10.7270/Q2902418
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	253	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]-CHA from human Adenosine A1 receptor expressed in CHO cells				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	741	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]-CHA from rat cortical membrane Adenosine A1 receptor. Parenthesis indicate 95% confidence limit.				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 2740-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.082 BindingDB Entry DOI: 10.7270/Q2RV0P0B
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Padova Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 17: 5259-74 (2009) Checked by Author Article DOI: 10.1016/j.bmc.2009.05.038 BindingDB Entry DOI: 10.7270/Q23N23FX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 [125I]-AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 [125I]-AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50064700 (4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibition of 1 uM NECA-stimulated cyclic AMP levels in human platelets				J Med Chem 41: 2126-33 (1998) Article DOI: 10.1021/jm9708689 BindingDB Entry DOI: 10.7270/Q2251H9K
					More data for this Ligand-Target Pair