BDBM50293594 5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosphonic acid::CHEMBL495498

SMILES: CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O

InChI Key: InChIKey=XJMYIJPPDSZOPN-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50293594   

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))	BDBM50293594 (5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosph...) Show SMILES CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human liver FBPase				Bioorg Med Chem Lett 19: 5909-12 (2009) Article DOI: 10.1016/j.bmcl.2009.08.081 BindingDB Entry DOI: 10.7270/Q23J3D22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50293594 (5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosph...) Show SMILES CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co, Ltd Curated by ChEMBL					Assay Description Inhibition of human liver recombinant FBPase				Bioorg Med Chem Lett 20: 1004-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.056 BindingDB Entry DOI: 10.7270/Q2JW8F1D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50293594 (5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosph...) Show SMILES CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	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				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50293594 (5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosph...) Show SMILES CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Boston College Curated by ChEMBL					Assay Description Inhibition of human liver FBPase				Bioorg Med Chem 17: 3916-22 (2009) Article DOI: 10.1016/j.bmc.2009.04.030 BindingDB Entry DOI: 10.7270/Q25T3KGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50293594 (5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosph...) Show SMILES CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	16	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				3D Structure (crystal)