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BDBM50273236 1-[(3-chlorobenzene)sulfonyl]-3-(3-{[3-({[(3-chlorobenzene)sulfonyl]carbamoyl}amino)propyl]amino}propyl)urea::CHEMBL457849

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

InChI Key: InChIKey=KSSILXXJPRUDKM-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50273236   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50273236
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-(3-{[3-({[(3-chlor...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCNCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H25Cl2N5O6S2/c21-15-5-1-7-17(13-15)34(30,31)26-19(28)24-11-3-9-23-10-4-12-25-20(29)27-35(32,33)18-8-2-6-16(22)14-18/h1-2,5-8,13-14,23H,3-4,9-12H2,(H2,24,26,28)(H2,25,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.38E+4n/an/an/an/an/an/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
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50273236
PNG
(1-[(3-chlorobenzene)sulfonyl]-3-(3-{[3-({[(3-chlor...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)NCCCNCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H25Cl2N5O6S2/c21-15-5-1-7-17(13-15)34(30,31)26-19(28)24-11-3-9-23-10-4-12-25-20(29)27-35(32,33)18-8-2-6-16(22)14-18/h1-2,5-8,13-14,23H,3-4,9-12H2,(H2,24,26,28)(H2,25,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.37E+4n/an/an/an/an/an/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