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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.8
BDBM50320146
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Taste receptor type 2 member 14


(Homo sapiens (Human))
BDBM50320146
PNG
(4-((N-benzyl-4-chlorophenylsulfonamido)methyl)benz...)
Show SMILES OC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H18ClNO4S/c22-19-10-12-20(13-11-19)28(26,27)23(14-16-4-2-1-3-5-16)15-17-6-8-18(9-7-17)21(24)25/h1-13H,14-15H2,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

US Patent
n/an/a 394n/an/an/an/an/an/a



Senomyx, Inc.

US Patent


Assay Description
In another embodiment, Fluorescence Polarization ("FP") based assays may be used to detect and monitor ligand binding. Fluorescence polarization is a...


US Patent US9247759 (2016)


BindingDB Entry DOI: 10.7270/Q2V69HFW
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320146
PNG
(4-((N-benzyl-4-chlorophenylsulfonamido)methyl)benz...)
Show SMILES OC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H18ClNO4S/c22-19-10-12-20(13-11-19)28(26,27)23(14-16-4-2-1-3-5-16)15-17-6-8-18(9-7-17)21(24)25/h1-13H,14-15H2,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.94E+3n/an/an/an/an/an/a



Merck Serono SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs


Bioorg Med Chem Lett 20: 3614-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.113
BindingDB Entry DOI: 10.7270/Q2668DDX
More data for this
Ligand-Target Pair