BDBM50367496 CHEMBL609650

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(O)c3)ncnc12

InChI Key: InChIKey=DSKWJMPYHQTWFI-AARXTDBFSA-N

Data: 2 IC50

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 = 50367496   

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 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367496 (CHEMBL609650) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(O)c3)ncnc12 |r| Show InChI InChI=1S/C16H17N5O5/c22-5-10-12(24)13(25)16(26-10)21-7-19-11-14(17-6-18-15(11)21)20-8-2-1-3-9(23)4-8/h1-4,6-7,10,12-13,16,22-25H,5H2,(H,17,18,20)/t10-,12-,13-,16?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane				J Med Chem 30: 954-6 (1987) BindingDB Entry DOI: 10.7270/Q2PN967D
					More data for this Ligand-Target Pair
ADORA1 (Chick)	BDBM50367496 (CHEMBL609650) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(O)c3)ncnc12 |r| Show InChI InChI=1S/C16H17N5O5/c22-5-10-12(24)13(25)16(26-10)21-7-19-11-14(17-6-18-15(11)21)20-8-2-1-3-9(23)4-8/h1-4,6-7,10,12-13,16,22-25H,5H2,(H,17,18,20)/t10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor using [125I]-ABA in chick cerebellar membrane				J Med Chem 30: 954-6 (1987) BindingDB Entry DOI: 10.7270/Q2PN967D
					More data for this Ligand-Target Pair