BDBM50412196 CHEMBL452257

SMILES: OC1CCC(CC1)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1

InChI Key: InChIKey=VGXKTZVSOOULOP-UHFFFAOYSA-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 = 50412196   

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 (BOVINE)	BDBM50412196 (CHEMBL452257) Show SMILES OC1CCC(CC1)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 |(.4,-38.89,;-.93,-39.67,;-.94,-41.21,;-2.26,-41.98,;-3.6,-41.22,;-3.61,-39.67,;-2.27,-38.9,;-4.93,-41.99,;-4.92,-43.53,;-6.25,-44.3,;-6.25,-45.85,;-4.92,-46.62,;-3.58,-45.85,;-2.11,-46.32,;-1.63,-47.79,;-2.66,-48.93,;-4.16,-48.61,;-5.19,-49.75,;-4.71,-51.22,;-3.2,-51.53,;-2.18,-50.39,;-.67,-50.7,;-1.19,-45.07,;-2.11,-43.81,;-3.58,-44.29,;-7.58,-46.61,;-8.91,-45.84,;-10.25,-46.6,;-10.25,-48.14,;-8.91,-48.92,;-7.58,-48.14,)| Show InChI InChI=1S/C23H23FN6O/c24-19-9-5-4-8-16(19)14-30-23-20(28-29-30)22(25-17-10-12-18(31)13-11-17)26-21(27-23)15-6-2-1-3-7-15/h1-9,17-18,31H,10-14H2,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Binding affinity to bovine adenosine A1 receptor				Eur J Med Chem 43: 114-21 (2008) Article DOI: 10.1016/j.ejmech.2007.02.009 BindingDB Entry DOI: 10.7270/Q2WW7JWK
					More data for this Ligand-Target Pair