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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 467.5
BDBM389785

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))
BDBM389785
PNG
(2-Imidazo[4,5-b]pyridin-3-yl-1-[(R)-2-methyl-4-(2-...)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)C1N(CCc2ccccc12)c1ccccn1
Show InChI InChI=1S/C27H29N7O/c1-20-17-31(15-16-33(20)25(35)18-32-19-30-23-9-6-13-29-26(23)32)27-22-8-3-2-7-21(22)11-14-34(27)24-10-4-5-12-28-24/h2-10,12-13,19-20,27H,11,14-18H2,1H3/t20-,27?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.71n/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