BDBM50329366 2-(3-cyanobenzamido)-N-ethyl-3-(3-methoxypropyl)-N-methyl-3H-imidazo[4,5-b]pyridine-5-carboxamide::CHEMBL1270008

SMILES: CCN(C)C(=O)c1ccc2nc(NC(=O)c3cccc(c3)C#N)n(CCCOC)c2n1

InChI Key: InChIKey=CYSZSBBHEJDWPK-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 = 50329366   

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))	BDBM50329366 (2-(3-cyanobenzamido)-N-ethyl-3-(3-methoxypropyl)-N...) Show SMILES CCN(C)C(=O)c1ccc2nc(NC(=O)c3cccc(c3)C#N)n(CCCOC)c2n1 Show InChI InChI=1S/C22H24N6O3/c1-4-27(2)21(30)18-10-9-17-19(24-18)28(11-6-12-31-3)22(25-17)26-20(29)16-8-5-7-15(13-16)14-23/h5,7-10,13H,4,6,11-12H2,1-3H3,(H,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH58261 from human recombinant A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6845-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.064 BindingDB Entry DOI: 10.7270/Q2NS0V4K
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50329366 (2-(3-cyanobenzamido)-N-ethyl-3-(3-methoxypropyl)-N...) Show SMILES CCN(C)C(=O)c1ccc2nc(NC(=O)c3cccc(c3)C#N)n(CCCOC)c2n1 Show InChI InChI=1S/C22H24N6O3/c1-4-27(2)21(30)18-10-9-17-19(24-18)28(11-6-12-31-3)22(25-17)26-20(29)16-8-5-7-15(13-16)14-23/h5,7-10,13H,4,6,11-12H2,1-3H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat A2A receptor by cAMP functional assay				Bioorg Med Chem Lett 20: 6845-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.064 BindingDB Entry DOI: 10.7270/Q2NS0V4K
					More data for this Ligand-Target Pair