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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 587.6
BDBM389719

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))
BDBM389719
PNG
(US9951063, 38)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1ccc(c2CCN(Cc12)c1nc2ccc(F)cc2s1)C(F)(F)F
Show InChI InChI=1S/C28H29F4N7OS/c1-16-13-36(10-11-38(16)26(40)15-39-18(3)33-17(2)35-39)24-7-5-22(28(30,31)32)20-8-9-37(14-21(20)24)27-34-23-6-4-19(29)12-25(23)41-27/h4-7,12,16H,8-11,13-15H2,1-3H3/t16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.8n/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