BDBM50366577 CHEMBL609247

SMILES: C[C@H]1N=C2N(C=Nc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@@H]1c1ccccc1

InChI Key: InChIKey=JRYXPZRNIIPBTF-REAAWNRYSA-N

Data: 2 KI

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 = 50366577   

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))	BDBM50366577 (CHEMBL609247) Show SMILES C[C@H]1N=C2N(C=Nc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@@H]1c1ccccc1 |r,c:2,5| Show InChI InChI=1S/C19H21N5O4/c1-10-14(11-5-3-2-4-6-11)23-9-21-17-13(18(23)22-10)20-8-24(17)19-16(27)15(26)12(7-25)28-19/h2-6,8-10,12,14-16,19,25-27H,7H2,1H3/t10-,12+,14+,15+,16+,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Binding affinity for rat brain Adenosine A1 receptor				Bioorg Med Chem Lett 8: 695-8 (1999) BindingDB Entry DOI: 10.7270/Q2X63NGB
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50366577 (CHEMBL609247) Show SMILES C[C@H]1N=C2N(C=Nc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@@H]1c1ccccc1 |r,c:2,5| Show InChI InChI=1S/C19H21N5O4/c1-10-14(11-5-3-2-4-6-11)23-9-21-17-13(18(23)22-10)20-8-24(17)19-16(27)15(26)12(7-25)28-19/h2-6,8-10,12,14-16,19,25-27H,7H2,1H3/t10-,12+,14+,15+,16+,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor from rat striata				Bioorg Med Chem Lett 8: 695-8 (1999) BindingDB Entry DOI: 10.7270/Q2X63NGB
					More data for this Ligand-Target Pair