BDBM50058210 CHEMBL445098::[9-(2-Fluoro-benzyl)-9H-purin-6-yl]-methyl-amine; compound with methanesulfonic acid

SMILES: CNc1ncnc2n(Cc3ccccc3F)cnc12

InChI Key: InChIKey=MZABAGHILOTTOD-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 = 50058210   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50058210 (CHEMBL445098 | [9-(2-Fluoro-benzyl)-9H-purin-6-yl]...) Show SMILES CNc1ncnc2n(Cc3ccccc3F)cnc12 Show InChI InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 421 du CNRS Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5				J Med Chem 40: 1768-70 (1997) Article DOI: 10.1021/jm960827x BindingDB Entry DOI: 10.7270/Q25T3M4T
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50058210 (CHEMBL445098 | [9-(2-Fluoro-benzyl)-9H-purin-6-yl]...) Show SMILES CNc1ncnc2n(Cc3ccccc3F)cnc12 Show InChI InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UPR 421 du CNRS Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 2				J Med Chem 40: 1768-70 (1997) Article DOI: 10.1021/jm960827x BindingDB Entry DOI: 10.7270/Q25T3M4T
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50058210 (CHEMBL445098 | [9-(2-Fluoro-benzyl)-9H-purin-6-yl]...) Show SMILES CNc1ncnc2n(Cc3ccccc3F)cnc12 Show InChI InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
UPR 421 du CNRS Curated by ChEMBL					Assay Description Displacement of [3H]CHA from Adenosine A1 receptor				J Med Chem 40: 1768-70 (1997) Article DOI: 10.1021/jm960827x BindingDB Entry DOI: 10.7270/Q25T3M4T
					More data for this Ligand-Target Pair