BDBM50163421 CHEMBL361229::N*5*-[(R)-1-(3,5-Dimethyl-isoxazol-4-ylmethyl)-pyrrolidin-2-ylmethyl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

SMILES: Cc1noc(C)c1CN1CCC[C@@H]1CNc1nc(N)n2nc(nc2n1)-c1ccco1

InChI Key: InChIKey=YXNQFFBUEWRZNL-CYBMUJFWSA-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 = 50163421   

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))	BDBM50163421 (CHEMBL361229 | N*5*-[(R)-1-(3,5-Dimethyl-isoxazol-...) Show SMILES Cc1noc(C)c1CN1CCC[C@@H]1CNc1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C19H23N9O2/c1-11-14(12(2)30-26-11)10-27-7-3-5-13(27)9-21-18-23-17(20)28-19(24-18)22-16(25-28)15-6-4-8-29-15/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H3,20,21,22,23,24,25)/t13-/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 Inhibition of [3H]DPCPX binding to adenosine A1 receptor of rat cerebral cortex				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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50163421 (CHEMBL361229 | N*5*-[(R)-1-(3,5-Dimethyl-isoxazol-...) Show SMILES Cc1noc(C)c1CN1CCC[C@@H]1CNc1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C19H23N9O2/c1-11-14(12(2)30-26-11)10-27-7-3-5-13(27)9-21-18-23-17(20)28-19(24-18)22-16(25-28)15-6-4-8-29-15/h4,6,8,13H,3,5,7,9-10H2,1-2H3,(H3,20,21,22,23,24,25)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	516	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