BDBM50340047 5-amino-2-(3-chlorobenzyl)-7-(2-morpholinoethyl)-2H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3(7H)-one::CHEMBL1762515

SMILES: Nc1nc2n(CCN3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12

InChI Key: InChIKey=DTONIABUVXDYLV-UHFFFAOYSA-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 = 50340047   

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 A2a (Homo sapiens (Human))	BDBM50340047 (5-amino-2-(3-chlorobenzyl)-7-(2-morpholinoethyl)-2...) Show SMILES Nc1nc2n(CCN3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 Show InChI InChI=1S/C19H21ClN8O2/c20-14-3-1-2-13(10-14)12-27-19(29)28-17(24-27)15-11-22-26(16(15)23-18(28)21)5-4-25-6-8-30-9-7-25/h1-3,10-11H,4-9,12H2,(H2,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant adenosine receptor A2a				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50340047 (5-amino-2-(3-chlorobenzyl)-7-(2-morpholinoethyl)-2...) Show SMILES Nc1nc2n(CCN3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 Show InChI InChI=1S/C19H21ClN8O2/c20-14-3-1-2-13(10-14)12-27-19(29)28-17(24-27)15-11-22-26(16(15)23-18(28)21)5-4-25-6-8-30-9-7-25/h1-3,10-11H,4-9,12H2,(H2,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human adenosine A2A receptor				Bioorg Med Chem Lett 21: 2497-501 (2011) Article DOI: 10.1016/j.bmcl.2011.02.045 BindingDB Entry DOI: 10.7270/Q21Z44Q5
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50340047 (5-amino-2-(3-chlorobenzyl)-7-(2-morpholinoethyl)-2...) Show SMILES Nc1nc2n(CCN3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 Show InChI InChI=1S/C19H21ClN8O2/c20-14-3-1-2-13(10-14)12-27-19(29)28-17(24-27)15-11-22-26(16(15)23-18(28)21)5-4-25-6-8-30-9-7-25/h1-3,10-11H,4-9,12H2,(H2,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant adenosine A1 receptor				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
					More data for this Ligand-Target Pair