BDBM50372029 CHEMBL256489

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN(C3CCCCC3)C(C)(C)C)nc12

InChI Key: InChIKey=IDLOKINWITUJRI-VIBCZQBBSA-N

Data: 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 1 hit for monomerid = 50372029   

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))	BDBM50372029 (CHEMBL256489) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN(C3CCCCC3)C(C)(C)C)nc12 Show InChI InChI=1S/C40H55N9O5/c1-5-41-37(52)34-32(50)33(51)38(54-34)48-25-45-31-35(43-23-29(26-15-9-6-10-16-26)27-17-11-7-12-18-27)46-30(47-36(31)48)24-44-39(53)42-21-22-49(40(2,3)4)28-19-13-8-14-20-28/h6-7,9-12,15-18,25,28-29,32-34,38,50-51H,5,8,13-14,19-24H2,1-4H3,(H,41,52)(H2,42,44,53)(H,43,46,47)/t32-,33+,34-,38+/m0/s1	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	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 18: 1284-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.033 BindingDB Entry DOI: 10.7270/Q22808F4
					More data for this Ligand-Target Pair