BDBM50367386 CHEMBL603571

SMILES: COc1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc(OC)c1OC

InChI Key: InChIKey=MXZYYUQXZHLOSF-UCLGYSFESA-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 = 50367386   

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))	BDBM50367386 (CHEMBL603571) Show SMILES COc1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc(OC)c1OC |r| Show InChI InChI=1S/C21H25N5O8/c1-31-11-6-10(7-12(32-2)16(11)33-3)4-5-22-18-13-19(24-8-23-18)26(9-25-13)20-15(28)14(27)17(34-20)21(29)30/h6-9,14-15,17,20,27-28H,4-5H2,1-3H3,(H,29,30)(H,22,23,24)/t14-,15+,17-,20?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	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 (Homo sapiens (Human))	BDBM50367386 (CHEMBL603571) Show SMILES COc1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc(OC)c1OC |r| Show InChI InChI=1S/C21H25N5O8/c1-31-11-6-10(7-12(32-2)16(11)33-3)4-5-22-18-13-19(24-8-23-18)26(9-25-13)20-15(28)14(27)17(34-20)21(29)30/h6-9,14-15,17,20,27-28H,4-5H2,1-3H3,(H,29,30)(H,22,23,24)/t14-,15+,17-,20?/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	680	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
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367386 (CHEMBL603571) Show SMILES COc1cc(CCNc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(O)=O)cc(OC)c1OC |r| Show InChI InChI=1S/C21H25N5O8/c1-31-11-6-10(7-12(32-2)16(11)33-3)4-5-22-18-13-19(24-8-23-18)26(9-25-13)20-15(28)14(27)17(34-20)21(29)30/h6-9,14-15,17,20,27-28H,4-5H2,1-3H3,(H,29,30)(H,22,23,24)/t14-,15+,17-,20?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	420	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