BDBM50275915 (S)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-((1-methylpyrrolidin-3-yloxy)methyl)phenyl)pyrimidin-4-yl)acetamide::CHEMBL470355

SMILES: CN1CC[C@@H](C1)OCc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C

InChI Key: InChIKey=HQGPRKKHKJMXJP-FQEVSTJZSA-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 = 50275915   

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))	BDBM50275915 ((S)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-((1-m...) Show SMILES CN1CC[C@@H](C1)OCc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r| Show InChI InChI=1S/C23H28N6O2/c1-15-10-16(2)29(27-15)23-25-21(12-22(26-23)24-17(3)30)19-7-5-6-18(11-19)14-31-20-8-9-28(4)13-20/h5-7,10-12,20H,8-9,13-14H2,1-4H3,(H,24,25,26,30)/t20-/m0/s1	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	73	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: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair