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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 510.6
BDBM389791

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))
BDBM389791
PNG
(2-Imidazo[4,5-b]pyridin-3-yl-1-{(R)-2-methyl-4-[2-...)
Show SMILES CCCc1ncc(cn1)N1CCc2cccc(N3CCN([C@H](C)C3)C(=O)Cn3cnc4cccnc34)c2C1
Show InChI InChI=1S/C29H34N8O/c1-3-6-27-31-15-23(16-32-27)34-12-10-22-7-4-9-26(24(22)18-34)35-13-14-37(21(2)17-35)28(38)19-36-20-33-25-8-5-11-30-29(25)36/h4-5,7-9,11,15-16,20-21H,3,6,10,12-14,17-19H2,1-2H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.850n/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