BDBM50499698 CHEMBL3741961

SMILES: Cl.COc1ccc(C[C@H]2CN(Cc3ccccc3)C(=N)N2)cc1

InChI Key: InChIKey=NOERTKKSNVHMMI-NTISSMGPSA-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 = 50499698   

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))	BDBM50499698 (CHEMBL3741961) Show SMILES Cl.COc1ccc(C[C@H]2CN(Cc3ccccc3)C(=N)N2)cc1 |r| Show InChI InChI=1S/C18H21N3O.ClH/c1-22-17-9-7-14(8-10-17)11-16-13-21(18(19)20-16)12-15-5-3-2-4-6-15;/h2-10,16H,11-13H2,1H3,(H2,19,20);1H/t16-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
					More data for this Ligand-Target Pair