BDBM50232086 CHEMBL4074412

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CCN(C2)c2cccc(c2)C(F)(F)F)c1

InChI Key: InChIKey=DYLYWWOUDQSLHH-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 = 50232086   

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))	BDBM50232086 (CHEMBL4074412) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CCN(C2)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-9-35-23-21(24(37)36(10-4-2)25(35)38)31-22(32-23)18-13-30-34(16-18)15-17-8-11-33(14-17)20-7-5-6-19(12-20)26(27,28)29/h5-7,12-13,16-17H,3-4,8-11,14-15H2,1-2H3,(H,31,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...				Eur J Med Chem 127: 986-996 (2017) BindingDB Entry DOI: 10.7270/Q2571F7G
					More data for this Ligand-Target Pair