BDBM50272991 1-[(3-chlorobenzene)sulfonyl]-3-[6-({[(3-chlorobenzene)sulfonyl]carbamoyl}amino)hexyl]urea::CHEMBL456977

SMILES: Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1

InChI Key: InChIKey=QXFHDZXCDGQHJF-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 = 50272991   

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))	BDBM50272991 (1-[(3-chlorobenzene)sulfonyl]-3-[6-({[(3-chloroben...) Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H24Cl2N4O6S2/c21-15-7-5-9-17(13-15)33(29,30)25-19(27)23-11-3-1-2-4-12-24-20(28)26-34(31,32)18-10-6-8-16(22)14-18/h5-10,13-14H,1-4,11-12H2,(H2,23,25,27)(H2,24,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human liver fructose-1,6-bisphosphatase				Bioorg Med Chem Lett 18: 4708-12 (2008) Article DOI: 10.1016/j.bmcl.2008.06.103 BindingDB Entry DOI: 10.7270/Q26W99W7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50272991 (1-[(3-chlorobenzene)sulfonyl]-3-[6-({[(3-chloroben...) Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H24Cl2N4O6S2/c21-15-7-5-9-17(13-15)33(29,30)25-19(27)23-11-3-1-2-4-12-24-20(28)26-34(31,32)18-10-6-8-16(22)14-18/h5-10,13-14H,1-4,11-12H2,(H2,23,25,27)(H2,24,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate				Bioorg Med Chem Lett 18: 4708-12 (2008) Article DOI: 10.1016/j.bmcl.2008.06.103 BindingDB Entry DOI: 10.7270/Q26W99W7
					More data for this Ligand-Target Pair				3D Structure (crystal)