BDBM50151195 5-[4-(3,5-Dimethyl-isoxazol-4-ylmethyl)-piperazin-1-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine::CHEMBL368619

SMILES: Cc1noc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1

InChI Key: InChIKey=FVJXVRHNTAPHCR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50151195   

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))	BDBM50151195 (5-[4-(3,5-Dimethyl-isoxazol-4-ylmethyl)-piperazin-...) Show SMILES Cc1noc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C18H21N9O2/c1-11-13(12(2)29-24-11)10-25-5-7-26(8-6-25)17-21-16(19)27-18(22-17)20-15(23-27)14-4-3-9-28-14/h3-4,9H,5-8,10H2,1-2H3,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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-241,385 binidng to rat brain adenosine A2a receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50151195 (5-[4-(3,5-Dimethyl-isoxazol-4-ylmethyl)-piperazin-...) Show SMILES Cc1noc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C18H21N9O2/c1-11-13(12(2)29-24-11)10-25-5-7-26(8-6-25)17-21-16(19)27-18(22-17)20-15(23-27)14-4-3-9-28-14/h3-4,9H,5-8,10H2,1-2H3,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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))	BDBM50151195 (5-[4-(3,5-Dimethyl-isoxazol-4-ylmethyl)-piperazin-...) Show SMILES Cc1noc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C18H21N9O2/c1-11-13(12(2)29-24-11)10-25-5-7-26(8-6-25)17-21-16(19)27-18(22-17)20-15(23-27)14-4-3-9-28-14/h3-4,9H,5-8,10H2,1-2H3,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.90E+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 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 receptor A1 (Rattus norvegicus (rat))	BDBM50151195 (5-[4-(3,5-Dimethyl-isoxazol-4-ylmethyl)-piperazin-...) Show SMILES Cc1noc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C18H21N9O2/c1-11-13(12(2)29-24-11)10-25-5-7-26(8-6-25)17-21-16(19)27-18(22-17)20-15(23-27)14-4-3-9-28-14/h3-4,9H,5-8,10H2,1-2H3,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+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 Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 receptor				J Med Chem 47: 4291-9 (2004) Article DOI: 10.1021/jm0498405 BindingDB Entry DOI: 10.7270/Q2805235
					More data for this Ligand-Target Pair