BDBM50412195 CHEMBL509001

SMILES: COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1

InChI Key: InChIKey=QAAKLCLCIMZXGO-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 = 50412195   

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)	BDBM50412195 (CHEMBL509001) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C25H19ClN6O2/c1-34-19-13-11-17(12-14-19)25(33)29-23-21-24(28-22(27-23)16-7-3-2-4-8-16)32(31-30-21)15-18-9-5-6-10-20(18)26/h2-14H,15H2,1H3,(H,27,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+7	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