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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 622.0
BDBM50300915

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

Found 3 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))
BDBM50300915
PNG
(CHEMBL577972 | rac-N-(1-(8-chloro-3-(4-cyanophenyl...)
Show SMILES CCS(=O)(=O)CCN(C(C)c1nc2c(Cl)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C28H24ClF4N5O3S/c1-3-42(40,41)13-12-37(23(39)15-19-6-9-21(22(30)14-19)28(31,32)33)17(2)24-25(20-7-4-18(16-34)5-8-20)38-11-10-35-26(29)27(38)36-24/h4-11,14,17H,3,12-13,15H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/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))
BDBM50300915
PNG
(CHEMBL577972 | rac-N-(1-(8-chloro-3-(4-cyanophenyl...)
Show SMILES CCS(=O)(=O)CCN(C(C)c1nc2c(Cl)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C28H24ClF4N5O3S/c1-3-42(40,41)13-12-37(23(39)15-19-6-9-21(22(30)14-19)28(31,32)33)17(2)24-25(20-7-4-18(16-34)5-8-20)38-11-10-35-26(29)27(38)36-24/h4-11,14,17H,3,12-13,15H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50300915
PNG
(CHEMBL577972 | rac-N-(1-(8-chloro-3-(4-cyanophenyl...)
Show SMILES CCS(=O)(=O)CCN(C(C)c1nc2c(Cl)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C28H24ClF4N5O3S/c1-3-42(40,41)13-12-37(23(39)15-19-6-9-21(22(30)14-19)28(31,32)33)17(2)24-25(20-7-4-18(16-34)5-8-20)38-11-10-35-26(29)27(38)36-24/h4-11,14,17H,3,12-13,15H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% 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