BDBM50451985 CHEMBL612179

SMILES: Cc1ccccc1OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12

InChI Key: InChIKey=IUTJXZOXHFVWDR-MAIGCJKRSA-N

Data: 1 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 1 hit for monomerid = 50451985   

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 A1 receptor (GUINEA PIG)	BDBM50451985 (CHEMBL612179) Show SMILES Cc1ccccc1OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C21H25N5O5/c1-12-4-2-3-5-14(12)30-9-15-17(27)18(28)21(31-15)26-11-24-16-19(22-10-23-20(16)26)25-13-6-7-29-8-13/h2-5,10-11,13,15,17-18,21,27-28H,6-9H2,1H3,(H,22,23,25)/t13?,15-,17-,18-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	503	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 503+/-262				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair