BDBM50303854 5-(4-amino-7-ethyl-5-fluoro-1-isobutyl-1H-benzo[d]imidazol-2-yl)furan-2-ylphosphonic acid::CHEMBL570790

SMILES: CCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12

InChI Key: InChIKey=GSEADEUPRWQKIW-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 = 50303854   

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))	BDBM50303854 (5-(4-amino-7-ethyl-5-fluoro-1-isobutyl-1H-benzo[d]...) Show SMILES CCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12 Show InChI InChI=1S/C17H21FN3O4P/c1-4-10-7-11(18)14(19)15-16(10)21(8-9(2)3)17(20-15)12-5-6-13(25-12)26(22,23)24/h5-7,9H,4,8,19H2,1-3H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	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
Adenosine kinase (Homo sapiens (Human))	BDBM50303854 (5-(4-amino-7-ethyl-5-fluoro-1-isobutyl-1H-benzo[d]...) Show SMILES CCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12 Show InChI InChI=1S/C17H21FN3O4P/c1-4-10-7-11(18)14(19)15-16(10)21(8-9(2)3)17(20-15)12-5-6-13(25-12)26(22,23)24/h5-7,9H,4,8,19H2,1-3H3,(H2,22,23,24)	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 adenosine kinase AMP binding site				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))	BDBM50303854 (5-(4-amino-7-ethyl-5-fluoro-1-isobutyl-1H-benzo[d]...) Show SMILES CCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12 Show InChI InChI=1S/C17H21FN3O4P/c1-4-10-7-11(18)14(19)15-16(10)21(8-9(2)3)17(20-15)12-5-6-13(25-12)26(22,23)24/h5-7,9H,4,8,19H2,1-3H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBP				J Med Chem 54: 153-65 (2011) Article DOI: 10.1021/jm101035x BindingDB Entry DOI: 10.7270/Q2CN74WJ
					More data for this Ligand-Target Pair
Phosphofructokinase muscle type (Homo sapiens (Human))	BDBM50303854 (5-(4-amino-7-ethyl-5-fluoro-1-isobutyl-1H-benzo[d]...) Show SMILES CCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12 Show InChI InChI=1S/C17H21FN3O4P/c1-4-10-7-11(18)14(19)15-16(10)21(8-9(2)3)17(20-15)12-5-6-13(25-12)26(22,23)24/h5-7,9H,4,8,19H2,1-3H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia 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 phosphofructokinase AMP binding site				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 (Rattus norvegicus)	BDBM50303854 (5-(4-amino-7-ethyl-5-fluoro-1-isobutyl-1H-benzo[d]...) Show SMILES CCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12 Show InChI InChI=1S/C17H21FN3O4P/c1-4-10-7-11(18)14(19)15-16(10)21(8-9(2)3)17(20-15)12-5-6-13(25-12)26(22,23)24/h5-7,9H,4,8,19H2,1-3H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	550	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 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
Adenosine deaminase (Homo sapiens (Human))	BDBM50303854 (5-(4-amino-7-ethyl-5-fluoro-1-isobutyl-1H-benzo[d]...) Show SMILES CCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12 Show InChI InChI=1S/C17H21FN3O4P/c1-4-10-7-11(18)14(19)15-16(10)21(8-9(2)3)17(20-15)12-5-6-13(25-12)26(22,23)24/h5-7,9H,4,8,19H2,1-3H3,(H2,22,23,24)	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	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 AMP deaminase AMP binding site				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