BDBM50108022 4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)-N,N-bis(2-hydroxyethyl)benzenesulfonamide::4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-N,N-bis-(2-hydroxy-ethyl)-benzenesulfonamide::CHEMBL22717

SMILES: Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=CNEVAKTYBKERIS-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 = 50108022   

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 A2a (Homo sapiens (Human))	BDBM50108022 (4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)	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	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				J Med Chem 51: 4449-55 (2008) Article DOI: 10.1021/jm701594y BindingDB Entry DOI: 10.7270/Q2T72JBB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50108022 (4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)	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	0.800	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))	BDBM50108022 (4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	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 binding at human Adenosine A2A receptor expressed in HEK-293 cells; ranges from 0.69-0.92				J Med Chem 45: 115-26 (2001) BindingDB Entry DOI: 10.7270/Q29Z946T
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50108022 (4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+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 human Adenosine A1 receptor expressed in CHO cells; ranges from 2153-2891				J Med Chem 45: 115-26 (2001) BindingDB Entry DOI: 10.7270/Q29Z946T
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50108022 (4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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 A2b (Homo sapiens (Human))	BDBM50108022 (4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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 specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.				J Med Chem 45: 115-26 (2001) BindingDB Entry DOI: 10.7270/Q29Z946T
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50108022 (4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...) Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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 specific [3H]-MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.				J Med Chem 45: 115-26 (2001) BindingDB Entry DOI: 10.7270/Q29Z946T
					More data for this Ligand-Target Pair