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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 659.6
BDBM50300916

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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))
BDBM50300916
PNG
(CHEMBL571082 | rac-N-(1-(3-(4-cyanophenyl)-7-ethox...)
Show SMILES CCOc1ccc2c(n1)nc(C(C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)n(-c1ccc(cc1)C#N)c2=O
Show InChI InChI=1S/C31H29F4N5O5S/c1-4-45-26-13-11-23-28(37-26)38-29(40(30(23)42)22-9-6-20(18-36)7-10-22)19(3)39(14-15-46(43,44)5-2)27(41)17-21-8-12-25(32)24(16-21)31(33,34)35/h6-13,16,19H,4-5,14-15,17H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 142n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50300916
PNG
(CHEMBL571082 | rac-N-(1-(3-(4-cyanophenyl)-7-ethox...)
Show SMILES CCOc1ccc2c(n1)nc(C(C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)n(-c1ccc(cc1)C#N)c2=O
Show InChI InChI=1S/C31H29F4N5O5S/c1-4-45-26-13-11-23-28(37-26)38-29(40(30(23)42)22-9-6-20(18-36)7-10-22)19(3)39(14-15-46(43,44)5-2)27(41)17-21-8-12-25(32)24(16-21)31(33,34)35/h6-13,16,19H,4-5,14-15,17H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 457n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair