BDBM50375507 CHEMBL261088

SMILES: O=C(Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1)C1CCCC1

InChI Key: InChIKey=IPULNXLCORDMJD-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 = 50375507   

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))	BDBM50375507 (CHEMBL261088) Show SMILES O=C(Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C23H21N3O3/c27-22(16-8-4-5-9-16)26-23-24-18(15-6-2-1-3-7-15)13-19(25-23)17-10-11-20-21(12-17)29-14-28-20/h1-3,6-7,10-13,16H,4-5,8-9,14H2,(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
					More data for this Ligand-Target Pair