BDBM50055091 CHEMBL3317571

SMILES: Nc1nc(\C=C\c2ccccc2)nc2cn(nc12)-c1ccccc1

InChI Key: InChIKey=LJQDDLDNPRPDEF-VAWYXSNFSA-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 = 50055091   

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 receptor A1 (Homo sapiens (Human))	BDBM50055091 (CHEMBL3317571) Show SMILES Nc1nc(\C=C\c2ccccc2)nc2cn(nc12)-c1ccccc1 Show InChI InChI=1S/C19H15N5/c20-19-18-16(13-24(23-18)15-9-5-2-6-10-15)21-17(22-19)12-11-14-7-3-1-4-8-14/h1-13H,(H2,20,21,22)/b12-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis				Eur J Med Chem 84: 614-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.060 BindingDB Entry DOI: 10.7270/Q2BG2QNH
					More data for this Ligand-Target Pair