BDBM21185 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide::Pyrimidine analogue, 37

SMILES: CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1

InChI Key: InChIKey=PSCBVZXHPONWAG-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 = 21185   

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))	BDBM21185 (2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-...) Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1 Show InChI InChI=1S/C17H20N8OS/c1-23-6-8-24(9-7-23)12-15(26)20-13-11-14(25-5-2-3-19-25)22-16(21-13)17-18-4-10-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	-10.5	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))	BDBM21185 (2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-...) Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1 Show InChI InChI=1S/C17H20N8OS/c1-23-6-8-24(9-7-23)12-15(26)20-13-11-14(25-5-2-3-19-25)22-16(21-13)17-18-4-10-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	850	-8.19	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