BDBM50406499 CHEMBL605463

SMILES: COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1

InChI Key: InChIKey=NEYZNILTYLJDQR-QAYVNIIMSA-N

Data: 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 2 hits for monomerid = 50406499   

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 A2 receptor (Homo sapiens (Human))	BDBM50406499 (CHEMBL605463) Show SMILES COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-2-10(3-5-11)6-7-29-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)30-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/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	1.40	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation				J Med Chem 34: 1340-4 (1991) BindingDB Entry DOI: 10.7270/Q24T6KJM
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50406499 (CHEMBL605463) Show SMILES COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-2-10(3-5-11)6-7-29-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)30-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Effective concentration required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the A1 adenosine receptor in langend...				J Med Chem 34: 1340-4 (1991) BindingDB Entry DOI: 10.7270/Q24T6KJM
					More data for this Ligand-Target Pair