BDBM50152213 2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-isoxazol-3-ylmethyl)-pyrrolidin-2-ylmethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine::CHEMBL353323

SMILES: CN(C[C@H]1CCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1

InChI Key: InChIKey=PXNMRNIIMNCIBJ-CQSZACIVSA-N

Data: 3 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 3 hits for monomerid = 50152213   

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))	BDBM50152213 (2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-iso...) Show SMILES CN(C[C@H]1CCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C19H23N9O2/c1-12-9-13(25-30-12)10-27-7-3-5-14(27)11-26(2)18-22-17(20)28-19(23-18)21-16(24-28)15-6-4-8-29-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H2,20,21,22,23,24)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 against Adenosine A2a receptor from rat brain tissue was determined using [3H]-ZM-241,385 as radioligand				Bioorg Med Chem Lett 14: 4831-4 (2004) Article DOI: 10.1016/j.bmcl.2004.07.047 BindingDB Entry DOI: 10.7270/Q2CJ8CZP
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50152213 (2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-iso...) Show SMILES CN(C[C@H]1CCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C19H23N9O2/c1-12-9-13(25-30-12)10-27-7-3-5-14(27)11-26(2)18-22-17(20)28-19(23-18)21-16(24-28)15-6-4-8-29-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H2,20,21,22,23,24)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50152213 (2-Furan-2-yl-N*5*-methyl-N*5*-[(R)-1-(5-methyl-iso...) Show SMILES CN(C[C@H]1CCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C19H23N9O2/c1-12-9-13(25-30-12)10-27-7-3-5-14(27)11-26(2)18-22-17(20)28-19(23-18)21-16(24-28)15-6-4-8-29-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H2,20,21,22,23,24)/t14-/m1/s1	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 against Adenosine A1 receptor from rat cerebral cortex was determined using [3H]-DPCPX as radioligand				Bioorg Med Chem Lett 14: 4831-4 (2004) Article DOI: 10.1016/j.bmcl.2004.07.047 BindingDB Entry DOI: 10.7270/Q2CJ8CZP
					More data for this Ligand-Target Pair