BDBM50416335 CHEMBL1170168

SMILES: CCCn1c2cc(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)n(C)c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=GBKLHMOLHDLNFA-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 = 50416335   

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))	BDBM50416335 (CHEMBL1170168) Show SMILES CCCn1c2cc(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C30H34N4O4/c1-4-15-33-26-18-25(31(3)28(26)29(36)34(16-5-2)30(33)37)22-10-12-24(13-11-22)38-20-27(35)32-17-14-21-8-6-7-9-23(21)19-32/h6-13,18H,4-5,14-17,19-20H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97.7	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 Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins				Eur J Med Chem 45: 2884-92 (2010) Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT
					More data for this Ligand-Target Pair