null

SMILES: CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1

InChI Key: InChIKey=QFYGWYSCRHAECE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21180   

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))	BDBM21180 (2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(...) Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1 Show InChI InChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)14-19(27)23-18-13-16(15-5-2-3-7-21-15)22-20(24-18)17-6-4-12-28-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	-10.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Neuroscience					Assay Description The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...				J Med Chem 51: 1719-29 (2008) Article DOI: 10.1021/jm701185v BindingDB Entry DOI: 10.7270/Q2W66J2J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21180 (2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(...) Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1 Show InChI InChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)14-19(27)23-18-13-16(15-5-2-3-7-21-15)22-20(24-18)17-6-4-12-28-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	389	-8.65	n/a	n/a	n/a	n/a	n/a	7.4	22
Neuroscience					Assay Description The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...				J Med Chem 51: 1719-29 (2008) Article DOI: 10.1021/jm701185v BindingDB Entry DOI: 10.7270/Q2W66J2J
					More data for this Ligand-Target Pair