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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 = 'BDBM50337250'   
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))
BDBM50337250
PNG
((S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...)
Show SMILES CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1 |r|
Show InChI InChI=1S/C26H35Cl2N5O/c1-3-22-18-32(25-24(28)15-20(16-30-25)26(34)29-4-2)13-14-33(22)23-9-11-31(12-10-23)17-19-5-7-21(27)8-6-19/h5-8,15-16,22-23H,3-4,9-14,17-18H2,1-2H3,(H,29,34)/t22-/m0/s1
UniProtKB/SwissProt

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Article
PubMed
3.16n/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 HEK293T cells


Bioorg Med Chem Lett 19: 2252-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.093
BindingDB Entry DOI: 10.7270/Q2DJ5GW6
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50337250
PNG
((S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...)
Show SMILES CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1 |r|
Show InChI InChI=1S/C26H35Cl2N5O/c1-3-22-18-32(25-24(28)15-20(16-30-25)26(34)29-4-2)13-14-33(22)23-9-11-31(12-10-23)17-19-5-7-21(27)8-6-19/h5-8,15-16,22-23H,3-4,9-14,17-18H2,1-2H3,(H,29,34)/t22-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3


Bioorg Med Chem Lett 21: 1527-31 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.114
BindingDB Entry DOI: 10.7270/Q2CZ37FJ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50337250
PNG
((S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...)
Show SMILES CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1 |r|
Show InChI InChI=1S/C26H35Cl2N5O/c1-3-22-18-32(25-24(28)15-20(16-30-25)26(34)29-4-2)13-14-33(22)23-9-11-31(12-10-23)17-19-5-7-21(27)8-6-19/h5-8,15-16,22-23H,3-4,9-14,17-18H2,1-2H3,(H,29,34)/t22-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair