BDBM50426503 CHEMBL2323587

SMILES: Nc1nc2n(CCN3CCN(CC3)c3ccc(OCC(O)=O)cc3)ncc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=WEQZSZADIFBDAX-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 = 50426503   

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 A2a (Homo sapiens (Human))	BDBM50426503 (CHEMBL2323587) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(OCC(O)=O)cc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C24H25N9O4/c25-24-28-22-18(23-27-21(29-33(23)24)19-2-1-13-36-19)14-26-32(22)12-9-30-7-10-31(11-8-30)16-3-5-17(6-4-16)37-15-20(34)35/h1-6,13-14H,7-12,15H2,(H2,25,28)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor by competition binding assay				ACS Med Chem Lett 4: 5-6 (2013) Article DOI: 10.1021/ml300397j BindingDB Entry DOI: 10.7270/Q2HH6MC3
					More data for this Ligand-Target Pair