BDBM50202573 1-deoxy-1-{6-[N'-(pyridine-3-carbonyl)-hydrazino]-9H-purin-9-yl}-N-ethyl-beta-D-ribofuranuronamide::CHEMBL448482

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccnc3)ncnc12

InChI Key: InChIKey=WIFQKCYURCBVNC-CVXDAYKESA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50202573   

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))	BDBM50202573 (1-deoxy-1-{6-[N'-(pyridine-3-carbonyl)-hydrazino]-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccnc3)ncnc12 |r| Show InChI InChI=1S/C18H20N8O5/c1-2-20-17(30)13-11(27)12(28)18(31-13)26-8-23-10-14(21-7-22-15(10)26)24-25-16(29)9-4-3-5-19-6-9/h3-8,11-13,18,27-28H,2H2,1H3,(H,20,30)(H,25,29)(H,21,22,24)/t11-,12+,13-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+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]CHA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 374-80 (2007) Article DOI: 10.1021/jm061170a BindingDB Entry DOI: 10.7270/Q2F76DDP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50202573 (1-deoxy-1-{6-[N'-(pyridine-3-carbonyl)-hydrazino]-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccnc3)ncnc12 |r| Show InChI InChI=1S/C18H20N8O5/c1-2-20-17(30)13-11(27)12(28)18(31-13)26-8-23-10-14(21-7-22-15(10)26)24-25-16(29)9-4-3-5-19-6-9/h3-8,11-13,18,27-28H,2H2,1H3,(H,20,30)(H,25,29)(H,21,22,24)/t11-,12+,13-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+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 [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 374-80 (2007) Article DOI: 10.1021/jm061170a BindingDB Entry DOI: 10.7270/Q2F76DDP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202573 (1-deoxy-1-{6-[N'-(pyridine-3-carbonyl)-hydrazino]-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccnc3)ncnc12 |r| Show InChI InChI=1S/C18H20N8O5/c1-2-20-17(30)13-11(27)12(28)18(31-13)26-8-23-10-14(21-7-22-15(10)26)24-25-16(29)9-4-3-5-19-6-9/h3-8,11-13,18,27-28H,2H2,1H3,(H,20,30)(H,25,29)(H,21,22,24)/t11-,12+,13-,18+/m0/s1	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	>5.00E+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]CGS-21680 from human adenosine A2A receptor expressed in CHO cells				J Med Chem 50: 374-80 (2007) Article DOI: 10.1021/jm061170a BindingDB Entry DOI: 10.7270/Q2F76DDP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50202573 (1-deoxy-1-{6-[N'-(pyridine-3-carbonyl)-hydrazino]-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccnc3)ncnc12 |r| Show InChI InChI=1S/C18H20N8O5/c1-2-20-17(30)13-11(27)12(28)18(31-13)26-8-23-10-14(21-7-22-15(10)26)24-25-16(29)9-4-3-5-19-6-9/h3-8,11-13,18,27-28H,2H2,1H3,(H,20,30)(H,25,29)(H,21,22,24)/t11-,12+,13-,18+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP levels				J Med Chem 50: 374-80 (2007) Article DOI: 10.1021/jm061170a BindingDB Entry DOI: 10.7270/Q2F76DDP
					More data for this Ligand-Target Pair