BDBM50156634 5-((7R,9aS)-7-((bis(2,4-difluorobenzyl)amino)methyl)-hexahydro-1H-pyrido[1,2-a]pyrazin-2(6H)-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine::CHEMBL222914

SMILES: Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccc(F)cc3F)Cc3ccc(F)cc3F)CC[C@H]2C1

InChI Key: InChIKey=UHLPAOQJDGSDTC-DVECYGJZSA-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 = 50156634   

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))	BDBM50156634 (5-((7R,9aS)-7-((bis(2,4-difluorobenzyl)amino)methy...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccc(F)cc3F)Cc3ccc(F)cc3F)CC[C@H]2C1 |r| Show InChI InChI=1S/C31H31F4N9O/c32-22-6-4-20(25(34)12-22)16-41(17-21-5-7-23(33)13-26(21)35)14-19-3-8-24-18-43(10-9-42(24)15-19)30-38-29(36)44-31(39-30)37-28(40-44)27-2-1-11-45-27/h1-2,4-7,11-13,19,24H,3,8-10,14-18H2,(H2,36,37,38,39,40)/t19-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	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))	BDBM50156634 (5-((7R,9aS)-7-((bis(2,4-difluorobenzyl)amino)methy...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccc(F)cc3F)Cc3ccc(F)cc3F)CC[C@H]2C1 |r| Show InChI InChI=1S/C31H31F4N9O/c32-22-6-4-20(25(34)12-22)16-41(17-21-5-7-23(33)13-26(21)35)14-19-3-8-24-18-43(10-9-42(24)15-19)30-38-29(36)44-31(39-30)37-28(40-44)27-2-1-11-45-27/h1-2,4-7,11-13,19,24H,3,8-10,14-18H2,(H2,36,37,38,39,40)/t19-,24+/m1/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