BDBM50329365 3-cyano-N-(1-(3-methoxypropyl)-6-(piperidine-1-carbonyl)-1H-benzo[d]imidazol-2-yl)benzamide::CHEMBL1270007

SMILES: COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2ccc(cc12)C(=O)N1CCCCC1

InChI Key: InChIKey=SNMRGFUBFCDLGG-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 = 50329365   

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))	BDBM50329365 (3-cyano-N-(1-(3-methoxypropyl)-6-(piperidine-1-car...) Show SMILES COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2ccc(cc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C25H27N5O3/c1-33-14-6-13-30-22-16-20(24(32)29-11-3-2-4-12-29)9-10-21(22)27-25(30)28-23(31)19-8-5-7-18(15-19)17-26/h5,7-10,15-16H,2-4,6,11-14H2,1H3,(H,27,28,31)	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	17	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))	BDBM50329365 (3-cyano-N-(1-(3-methoxypropyl)-6-(piperidine-1-car...) Show SMILES COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2ccc(cc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C25H27N5O3/c1-33-14-6-13-30-22-16-20(24(32)29-11-3-2-4-12-29)9-10-21(22)27-25(30)28-23(31)19-8-5-7-18(15-19)17-26/h5,7-10,15-16H,2-4,6,11-14H2,1H3,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	85	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