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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 531.0
BDBM50320132

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

Found 1 hit 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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50320132
PNG
(4-((N-benzyl-4-chlorophenylsulfonamido)methyl)-N-(...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NC1(CC1)c1ccccc1
Show InChI InChI=1S/C30H27ClN2O3S/c31-27-15-17-28(18-16-27)37(35,36)33(21-23-7-3-1-4-8-23)22-24-11-13-25(14-12-24)29(34)32-30(19-20-30)26-9-5-2-6-10-26/h1-18H,19-22H2,(H,32,34)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 238n/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