BDBM50408698 CHEMBL2112325

SMILES: C[C@H](Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12

InChI Key: InChIKey=PIIODZJTBYKNPM-CQSZACIVSA-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 = 50408698   

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)	BDBM50408698 (CHEMBL2112325) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12 |r| Show InChI InChI=1S/C20H19ClN6/c1-14(11-15-7-3-2-4-8-15)24-19-18-20(23-13-22-19)27(26-25-18)12-16-9-5-6-10-17(16)21/h2-10,13-14H,11-12H2,1H3,(H,22,23,24)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...				J Med Chem 41: 668-73 (1998) Article DOI: 10.1021/jm9701334 BindingDB Entry DOI: 10.7270/Q2CR5SG9
					More data for this Ligand-Target Pair