BDBM50259297 CHEMBL4062085

SMILES: Nc1nc(Br)cn2cc(nc12)-c1ccccc1

InChI Key: InChIKey=VWNNBVHXUZBHNY-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 = 50259297   

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))	BDBM50259297 (CHEMBL4062085) Show SMILES Nc1nc(Br)cn2cc(nc12)-c1ccccc1 Show InChI InChI=1S/C12H9BrN4/c13-10-7-17-6-9(8-4-2-1-3-5-8)15-12(17)11(14)16-10/h1-7H,(H2,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI), Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method				Eur J Med Chem 125: 611-628 (2017) Article DOI: 10.1016/j.ejmech.2016.09.076 BindingDB Entry DOI: 10.7270/Q2VM4FPF
					More data for this Ligand-Target Pair