BDBM50163401 CHEMBL369373::N*5*-[(R)-1-(3-Chloro-1-methyl-1H-pyrazol-4-ylmethyl)-pyrrolidin-2-ylmethyl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

SMILES: Cn1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1

InChI Key: InChIKey=LMHUMVDYMLVHEJ-GFCCVEGCSA-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 = 50163401   

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))	BDBM50163401 (CHEMBL369373 | N*5*-[(R)-1-(3-Chloro-1-methyl-1H-p...) Show SMILES Cn1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1 Show InChI InChI=1S/C18H21ClN10O/c1-27-9-11(14(19)25-27)10-28-6-2-4-12(28)8-21-17-23-16(20)29-18(24-17)22-15(26-29)13-5-3-7-30-13/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H3,20,21,22,23,24,26)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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))	BDBM50163401 (CHEMBL369373 | N*5*-[(R)-1-(3-Chloro-1-methyl-1H-p...) Show SMILES Cn1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1 Show InChI InChI=1S/C18H21ClN10O/c1-27-9-11(14(19)25-27)10-28-6-2-4-12(28)8-21-17-23-16(20)29-18(24-17)22-15(26-29)13-5-3-7-30-13/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H3,20,21,22,23,24,26)/t12-/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