BDBM50366488 CHEMBL608330

SMILES: CC(C)C[C@H](CO)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=IFXXETIETNTLBL-RXORQQCGSA-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 = 50366488   

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))	BDBM50366488 (CHEMBL608330) Show SMILES CC(C)C[C@H](CO)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H25N5O5/c1-8(2)3-9(4-22)20-14-11-15(18-6-17-14)21(7-19-11)16-13(25)12(24)10(5-23)26-16/h6-10,12-13,16,22-25H,3-5H2,1-2H3,(H,17,18,20)/t9-,10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA displacement.				Bioorg Med Chem Lett 7: 3085-3090 (1997) Article DOI: 10.1016/S0960-894X(97)10177-9 BindingDB Entry DOI: 10.7270/Q2SQ90W2
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50366488 (CHEMBL608330) Show SMILES CC(C)C[C@H](CO)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H25N5O5/c1-8(2)3-9(4-22)20-14-11-15(18-6-17-14)21(7-19-11)16-13(25)12(24)10(5-23)26-16/h6-10,12-13,16,22-25H,3-5H2,1-2H3,(H,17,18,20)/t9-,10-,12-,13-,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2 receptor of rat striatal membranes				Bioorg Med Chem Lett 7: 3085-3090 (1997) Article DOI: 10.1016/S0960-894X(97)10177-9 BindingDB Entry DOI: 10.7270/Q2SQ90W2
					More data for this Ligand-Target Pair