BDBM50025446 CHEMBL604408

SMILES: O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)N1CCCCC1)n1cnc2c(NN3CCCCC3)ncnc12

InChI Key: InChIKey=BFTLGLGNLAVSON-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50025446   

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))	BDBM50025446 (CHEMBL604408) Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)N1CCCCC1)n1cnc2c(NN3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C28H48N2O2/c1-5-6-7-8-9-10-19-29-26(32)23-13-12-21-20-11-14-24-28(3,18-16-25(31)30(24)4)22(20)15-17-27(21,23)2/h20-24H,5-19H2,1-4H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	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