BDBM50360208 CHEMBL1927435

SMILES: CCCCC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1

InChI Key: InChIKey=AVZWWPOOFMSQRF-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50360208   

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))	BDBM50360208 (CHEMBL1927435) Show SMILES CCCCC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C17H22N8O2/c1-2-3-6-13(26)23-7-9-24(10-8-23)16-20-15(18)25-17(21-16)19-14(22-25)12-5-4-11-27-12/h4-5,11H,2-3,6-10H2,1H3,(H2,18,19,20,21,22)	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	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50360208 (CHEMBL1927435) Show SMILES CCCCC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C17H22N8O2/c1-2-3-6-13(26)23-7-9-24(10-8-23)16-20-15(18)25-17(21-16)19-14(22-25)12-5-4-11-27-12/h4-5,11H,2-3,6-10H2,1H3,(H2,18,19,20,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase act...				J Med Chem 54: (2011) Article DOI: 10.1021/jm101349u BindingDB Entry DOI: 10.7270/Q2445MXP
					More data for this Ligand-Target Pair