BDBM50237071 CHEMBL404864::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yloxy)acetamide

SMILES: Cc1cc(C)n(n1)-c1cc(NC(=O)COc2nc(C)cc(C)n2)nc(n1)-c1ccc(C)o1

InChI Key: InChIKey=VWYLETALEOIPPS-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 = 50237071   

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))	BDBM50237071 (CHEMBL404864 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2nc(C)cc(C)n2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C22H23N7O3/c1-12-8-13(2)24-22(23-12)31-11-20(30)25-18-10-19(29-15(4)9-14(3)28-29)27-21(26-18)17-7-6-16(5)32-17/h6-10H,11H2,1-5H3,(H,25,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 1778-83 (2008) Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50237071 (CHEMBL404864 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2nc(C)cc(C)n2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C22H23N7O3/c1-12-8-13(2)24-22(23-12)31-11-20(30)25-18-10-19(29-15(4)9-14(3)28-29)27-21(26-18)17-7-6-16(5)32-17/h6-10H,11H2,1-5H3,(H,25,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 1778-83 (2008) Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62
					More data for this Ligand-Target Pair