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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'chemokine (C-X-C motif) receptor 3' and Ligand = 'BDBM50300901'   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300901
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-methylimidazo[1,2-a]...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2c(C)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F4N5O3S/c1-4-42(40,41)14-13-37(25(39)16-21-7-10-23(24(30)15-21)29(31,32)33)19(3)26-27(22-8-5-20(17-34)6-9-22)38-12-11-35-18(2)28(38)36-26/h5-12,15,19H,4,13-14,16H2,1-3H3/t19-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300901
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-methylimidazo[1,2-a]...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2c(C)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F4N5O3S/c1-4-42(40,41)14-13-37(25(39)16-21-7-10-23(24(30)15-21)29(31,32)33)19(3)26-27(22-8-5-20(17-34)6-9-22)38-12-11-35-18(2)28(38)36-26/h5-12,15,19H,4,13-14,16H2,1-3H3/t19-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300901
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-methylimidazo[1,2-a]...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2c(C)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F4N5O3S/c1-4-42(40,41)14-13-37(25(39)16-21-7-10-23(24(30)15-21)29(31,32)33)19(3)26-27(22-8-5-20(17-34)6-9-22)38-12-11-35-18(2)28(38)36-26/h5-12,15,19H,4,13-14,16H2,1-3H3/t19-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/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