BDBM50277565 5-(6-amino-9-neopentyl-9H-purin-8-yl)furan-2-ylphosphonic acid::CHEMBL482735::{5-[6-Amino-9-(2,2-dimethyl-propyl)-9H-purin-8-yl]-furan-2-yl}-phosphonic Acid

SMILES: CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O

InChI Key: InChIKey=FNRCWALNVIZCTJ-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

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 6 hits for monomerid = 50277565   

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
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50277565 (5-(6-amino-9-neopentyl-9H-purin-8-yl)furan-2-ylpho...) Show SMILES CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C14H18N5O4P/c1-14(2,3)6-19-12(8-4-5-9(23-8)24(20,21)22)18-10-11(15)16-7-17-13(10)19/h4-5,7H,6H2,1-3H3,(H2,15,16,17)(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50277565 (5-(6-amino-9-neopentyl-9H-purin-8-yl)furan-2-ylpho...) Show SMILES CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C14H18N5O4P/c1-14(2,3)6-19-12(8-4-5-9(23-8)24(20,21)22)18-10-11(15)16-7-17-13(10)19/h4-5,7H,6H2,1-3H3,(H2,15,16,17)(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry				J Med Chem 52: 2880-98 (2009) Article DOI: 10.1021/jm900078f BindingDB Entry DOI: 10.7270/Q2V40V20
					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50277565 (5-(6-amino-9-neopentyl-9H-purin-8-yl)furan-2-ylpho...) Show SMILES CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C14H18N5O4P/c1-14(2,3)6-19-12(8-4-5-9(23-8)24(20,21)22)18-10-11(15)16-7-17-13(10)19/h4-5,7H,6H2,1-3H3,(H2,15,16,17)(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase				J Med Chem 52: 2880-98 (2009) Article DOI: 10.1021/jm900078f BindingDB Entry DOI: 10.7270/Q2V40V20
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50277565 (5-(6-amino-9-neopentyl-9H-purin-8-yl)furan-2-ylpho...) Show SMILES CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C14H18N5O4P/c1-14(2,3)6-19-12(8-4-5-9(23-8)24(20,21)22)18-10-11(15)16-7-17-13(10)19/h4-5,7H,6H2,1-3H3,(H2,15,16,17)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant adenosine kinase expressed in Escherichia coli				J Med Chem 52: 2880-98 (2009) Article DOI: 10.1021/jm900078f BindingDB Entry DOI: 10.7270/Q2V40V20
					More data for this Ligand-Target Pair
Adenylate kinase isoenzyme 1 (Oryctolagus cuniculus)	BDBM50277565 (5-(6-amino-9-neopentyl-9H-purin-8-yl)furan-2-ylpho...) Show SMILES CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C14H18N5O4P/c1-14(2,3)6-19-12(8-4-5-9(23-8)24(20,21)22)18-10-11(15)16-7-17-13(10)19/h4-5,7H,6H2,1-3H3,(H2,15,16,17)(H2,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rabbit muscle adenylate kinase				J Med Chem 52: 2880-98 (2009) Article DOI: 10.1021/jm900078f BindingDB Entry DOI: 10.7270/Q2V40V20
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase (Rattus norvegicus)	BDBM50277565 (5-(6-amino-9-neopentyl-9H-purin-8-yl)furan-2-ylpho...) Show SMILES CC(C)(C)Cn1c(nc2c(N)ncnc12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C14H18N5O4P/c1-14(2,3)6-19-12(8-4-5-9(23-8)24(20,21)22)18-10-11(15)16-7-17-13(10)19/h4-5,7H,6H2,1-3H3,(H2,15,16,17)(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver FBPase				J Med Chem 52: 2880-98 (2009) Article DOI: 10.1021/jm900078f BindingDB Entry DOI: 10.7270/Q2V40V20
					More data for this Ligand-Target Pair