BDBM50156631 CHEMBL221947::N7-(((7S,9aR)-2-(2,4-difluorobenzyl)-octahydro-1H-pyrido[1,2-a]pyrazin-7-yl)methyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-f]pyrimidine-5,7-diamine

SMILES: Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)cc2nc(nn12)-c1ccco1

InChI Key: InChIKey=PBCJOWCRGLEVGM-QFBILLFUSA-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 = 50156631   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50156631 (CHEMBL221947 | N7-(((7S,9aR)-2-(2,4-difluorobenzyl...) Show SMILES Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)cc2nc(nn12)-c1ccco1 |r| Show InChI InChI=1S/C25H28F2N8O/c26-18-5-4-17(20(27)10-18)14-33-7-8-34-13-16(3-6-19(34)15-33)12-29-22-11-23-31-24(21-2-1-9-36-21)32-35(23)25(28)30-22/h1-2,4-5,9-11,16,19,29H,3,6-8,12-15H2,(H2,28,30)/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50156631 (CHEMBL221947 | N7-(((7S,9aR)-2-(2,4-difluorobenzyl...) Show SMILES Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)cc2nc(nn12)-c1ccco1 |r| Show InChI InChI=1S/C25H28F2N8O/c26-18-5-4-17(20(27)10-18)14-33-7-8-34-13-16(3-6-19(34)15-33)12-29-22-11-23-31-24(21-2-1-9-36-21)32-35(23)25(28)30-22/h1-2,4-5,9-11,16,19,29H,3,6-8,12-15H2,(H2,28,30)/t16-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair