BDBM50305565 CHEMBL590361::N-(5-bromothiazol-2-ylcarbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide

SMILES: COCCc1sc(cc1C)S(=O)(=O)NC(=O)Nc1ncc(Br)s1

InChI Key: InChIKey=GYLXXAGXBDRUHI-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50305565   

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 (Homo sapiens (Human))	BDBM50305565 (CHEMBL590361 | N-(5-bromothiazol-2-ylcarbamoyl)-5-...) Show SMILES COCCc1sc(cc1C)S(=O)(=O)NC(=O)Nc1ncc(Br)s1 Show InChI InChI=1S/C12H14BrN3O4S3/c1-7-5-10(21-8(7)3-4-20-2)23(18,19)16-11(17)15-12-14-6-9(13)22-12/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrate				Bioorg Med Chem Lett 20: 594-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.093 BindingDB Entry DOI: 10.7270/Q27H1JPX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (Mus musculus)	BDBM50305565 (CHEMBL590361 | N-(5-bromothiazol-2-ylcarbamoyl)-5-...) Show SMILES COCCc1sc(cc1C)S(=O)(=O)NC(=O)Nc1ncc(Br)s1 Show InChI InChI=1S/C12H14BrN3O4S3/c1-7-5-10(21-8(7)3-4-20-2)23(18,19)16-11(17)15-12-14-6-9(13)22-12/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of FBPase in mouse liver				Bioorg Med Chem Lett 20: 594-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.093 BindingDB Entry DOI: 10.7270/Q27H1JPX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50305565 (CHEMBL590361 | N-(5-bromothiazol-2-ylcarbamoyl)-5-...) Show SMILES COCCc1sc(cc1C)S(=O)(=O)NC(=O)Nc1ncc(Br)s1 Show InChI InChI=1S/C12H14BrN3O4S3/c1-7-5-10(21-8(7)3-4-20-2)23(18,19)16-11(17)15-12-14-6-9(13)22-12/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of FBPase in human liver				Bioorg Med Chem Lett 20: 594-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.093 BindingDB Entry DOI: 10.7270/Q27H1JPX
					More data for this Ligand-Target Pair				3D Structure (crystal)