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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 496.6
BDBM389786

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))
BDBM389786
PNG
(2-Imidazo[4,5-b]pyridin-3-yl-1-{(R)-4-[2-(4-methox...)
Show SMILES COc1ccc(cc1)N1CCc2cccc(N3CCN([C@H](C)C3)C(=O)Cn3cnc4cccnc34)c2C1
Show InChI InChI=1S/C29H32N6O2/c1-21-17-33(15-16-35(21)28(36)19-34-20-31-26-6-4-13-30-29(26)34)27-7-3-5-22-12-14-32(18-25(22)27)23-8-10-24(37-2)11-9-23/h3-11,13,20-21H,12,14-19H2,1-2H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20.3n/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