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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 498.5
BDBM389801

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))
BDBM389801
PNG
(2-Imidazo[4,5-b]pyridin-3-yl-1-{(R)-4-[2-(6-methox...)
Show SMILES COc1cncc(n1)N1CCc2cccc(N3CCN([C@H](C)C3)C(=O)Cn3cnc4cccnc34)c2C1
Show InChI InChI=1S/C27H30N8O2/c1-19-15-32(11-12-35(19)26(36)17-34-18-30-22-6-4-9-29-27(22)34)23-7-3-5-20-8-10-33(16-21(20)23)24-13-28-14-25(31-24)37-2/h3-7,9,13-14,18-19H,8,10-12,15-17H2,1-2H3/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.03n/an/an/an/an/an/a



Tanabe Research Laboratories USA



Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...


Bioorg Med Chem Lett 17: 3473-9 (2007)


BindingDB Entry DOI: 10.7270/Q20R9RRK
More data for this
Ligand-Target Pair