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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 331.4
BDBM50400960

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))
BDBM50400960
PNG
(CHEMBL2205690)
Show SMILES CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(cc1)-c1ccccc1 |r,t:3,TLB:2:3:7:9|
Show InChI InChI=1S/C24H29N/c1-24(2)22-14-13-21(23(24)15-22)17-25(3)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-13,22-23H,14-17H2,1-3H3/t22-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in HEK293 cells


Bioorg Med Chem 19: 3384-93 (2011)


Article DOI: 10.1016/j.bmc.2011.04.035
BindingDB Entry DOI: 10.7270/Q2RB75RG
More data for this
Ligand-Target Pair