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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 566.5
BDBM389793

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))
BDBM389793
PNG
(2-Imidazo[4,5-b]pyridin-3-yl-1-((R)-2-methyl-4-{2-...)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1cccc2CCN(Cc12)c1cnc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C28H29F3N8O2/c1-19-14-37(10-11-39(19)25(40)16-38-18-35-23-5-3-8-32-26(23)38)24-6-2-4-20-7-9-36(15-22(20)24)21-12-33-27(34-13-21)41-17-28(29,30)31/h2-6,8,12-13,18-19H,7,9-11,14-17H2,1H3/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.98n/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