BDBM50367375 CHEMBL604834

SMILES: COc1ccc(Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc1

InChI Key: InChIKey=OCCHDTZLVAQBNC-IVMGVGPUSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 50367375   

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 (Rattus norvegicus (rat))	BDBM50367375 (CHEMBL604834) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc1 |r| Show InChI InChI=1S/C17H17N5O6/c1-27-9-4-2-8(3-5-9)21-14-10-15(19-6-18-14)22(7-20-10)16-12(24)11(23)13(28-16)17(25)26/h2-7,11-13,16,23-24H,1H3,(H,25,26)(H,18,19,21)/t11-,12+,13-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency against rat brain adenosine A1 receptor				J Med Chem 29: 1683-9 (1986) BindingDB Entry DOI: 10.7270/Q2Z89D0F
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367375 (CHEMBL604834) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc1 |r| Show InChI InChI=1S/C17H17N5O6/c1-27-9-4-2-8(3-5-9)21-14-10-15(19-6-18-14)22(7-20-10)16-12(24)11(23)13(28-16)17(25)26/h2-7,11-13,16,23-24H,1H3,(H,25,26)(H,18,19,21)/t11-,12+,13-,16?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency against PC12 cell A2 adenosine receptor by adenylate cyclase activation				J Med Chem 29: 1683-9 (1986) BindingDB Entry DOI: 10.7270/Q2Z89D0F
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Homo sapiens (Human))	BDBM50367375 (CHEMBL604834) Show SMILES COc1ccc(Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc1 |r| Show InChI InChI=1S/C17H17N5O6/c1-27-9-4-2-8(3-5-9)21-14-10-15(19-6-18-14)22(7-20-10)16-12(24)11(23)13(28-16)17(25)26/h2-7,11-13,16,23-24H,1H3,(H,25,26)(H,18,19,21)/t11-,12+,13-,16?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency against human platelet A2 adenosine receptor by adenylate cyclase activation				J Med Chem 29: 1683-9 (1986) BindingDB Entry DOI: 10.7270/Q2Z89D0F
					More data for this Ligand-Target Pair