BDBM50173196 CHEMBL194244::[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-(4-benzyl-piperazin-1-yl)-methanone

SMILES: Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=VSUCCGXUIGLIFT-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 = 50173196   

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 A1 (Rattus norvegicus (rat))	BDBM50173196 (CHEMBL194244 | [3-(8-Amino-2-furan-2-yl-[1,2,4]tri...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H25N7O2/c28-24-26-30-25(23-10-5-15-36-23)31-34(26)18-22(29-24)20-8-4-9-21(16-20)27(35)33-13-11-32(12-14-33)17-19-6-2-1-3-7-19/h1-10,15-16,18H,11-14,17H2,(H2,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50173196 (CHEMBL194244 | [3-(8-Amino-2-furan-2-yl-[1,2,4]tri...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H25N7O2/c28-24-26-30-25(23-10-5-15-36-23)31-34(26)18-22(29-24)20-8-4-9-21(16-20)27(35)33-13-11-32(12-14-33)17-19-6-2-1-3-7-19/h1-10,15-16,18H,11-14,17H2,(H2,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair