BDBM50414363 CHEMBL560623

SMILES: CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NC2CCCC2)cc1

InChI Key: InChIKey=WRAWDTFXMWUPML-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50414363   

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 A2b (Homo sapiens (Human))	BDBM50414363 (CHEMBL560623) Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NC2CCCC2)cc1 Show InChI InChI=1S/C24H31N5O5/c1-3-28-23(31)20-22(29(24(28)32)13-6-14-33-2)27-21(26-20)16-9-11-18(12-10-16)34-15-19(30)25-17-7-4-5-8-17/h9-12,17H,3-8,13-15H2,1-2H3,(H,25,30)(H,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de A Coru£a Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells				Bioorg Med Chem 17: 3426-32 (2009) Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50414363 (CHEMBL560623) Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NC2CCCC2)cc1 Show InChI InChI=1S/C24H31N5O5/c1-3-28-23(31)20-22(29(24(28)32)13-6-14-33-2)27-21(26-20)16-9-11-18(12-10-16)34-15-19(30)25-17-7-4-5-8-17/h9-12,17H,3-8,13-15H2,1-2H3,(H,25,30)(H,26,27)	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	95.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de A Coru£a Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor expressed in human HeLa cells				Bioorg Med Chem 17: 3426-32 (2009) Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF
					More data for this Ligand-Target Pair