BDBM50344569 CHEMBL1778447::N-(4-bromo-6-(3-methylureido)pyridin-2-ylcarbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide

SMILES: CNC(=O)Nc1cc(Br)cc(NC(=O)NS(=O)(=O)c2cc(C)c(CCOC)s2)n1

InChI Key: InChIKey=OKYOPMCSUZGIPB-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50344569   

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 (Mus musculus)	BDBM50344569 (CHEMBL1778447 | N-(4-bromo-6-(3-methylureido)pyrid...) Show SMILES CNC(=O)Nc1cc(Br)cc(NC(=O)NS(=O)(=O)c2cc(C)c(CCOC)s2)n1 Show InChI InChI=1S/C16H20BrN5O5S2/c1-9-6-14(28-11(9)4-5-27-3)29(25,26)22-16(24)21-13-8-10(17)7-12(19-13)20-15(23)18-2/h6-8H,4-5H2,1-3H3,(H4,18,19,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description Inhibition of mouse liver fructose-1,6-bisphosphatase				Bioorg Med Chem Lett 21: 3237-42 (2011) Article DOI: 10.1016/j.bmcl.2011.04.044 BindingDB Entry DOI: 10.7270/Q2C24WS9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50344569 (CHEMBL1778447 | N-(4-bromo-6-(3-methylureido)pyrid...) Show SMILES CNC(=O)Nc1cc(Br)cc(NC(=O)NS(=O)(=O)c2cc(C)c(CCOC)s2)n1 Show InChI InChI=1S/C16H20BrN5O5S2/c1-9-6-14(28-11(9)4-5-27-3)29(25,26)22-16(24)21-13-8-10(17)7-12(19-13)20-15(23)18-2/h6-8H,4-5H2,1-3H3,(H4,18,19,20,21,22,23,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description Inhibition of human liver fructose-1,6-bisphosphatase				Bioorg Med Chem Lett 21: 3237-42 (2011) Article DOI: 10.1016/j.bmcl.2011.04.044 BindingDB Entry DOI: 10.7270/Q2C24WS9
					More data for this Ligand-Target Pair				3D Structure (crystal)