BDBM50273070 3-[(3-methylbenzene)sulfonyl]-1-[6-({[(3-methylbenzene)sulfonyl]carbamoyl}amino)hex-3-yn-1-yl]urea::CHEMBL456154

SMILES: Cc1cccc(c1)S(=O)(=O)NC(=O)NCCC#CCCNC(=O)NS(=O)(=O)c1cccc(C)c1

InChI Key: InChIKey=DWZMVZLKMIUGLW-UHFFFAOYSA-N

Data: 2 IC50

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 = 50273070   

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))	BDBM50273070 (3-[(3-methylbenzene)sulfonyl]-1-[6-({[(3-methylben...) Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCC#CCCNC(=O)NS(=O)(=O)c1cccc(C)c1 Show InChI InChI=1S/C22H26N4O6S2/c1-17-9-7-11-19(15-17)33(29,30)25-21(27)23-13-5-3-4-6-14-24-22(28)26-34(31,32)20-12-8-10-18(2)16-20/h7-12,15-16H,5-6,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50273070 (3-[(3-methylbenzene)sulfonyl]-1-[6-({[(3-methylben...) Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCC#CCCNC(=O)NS(=O)(=O)c1cccc(C)c1 Show InChI InChI=1S/C22H26N4O6S2/c1-17-9-7-11-19(15-17)33(29,30)25-21(27)23-13-5-3-4-6-14-24-22(28)26-34(31,32)20-12-8-10-18(2)16-20/h7-12,15-16H,5-6,13-14H2,1-2H3,(H2,23,25,27)(H2,24,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	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