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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 402   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50254758
PNG
((1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)...)
Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1O)C2(C)C
Show InChI InChI=1S/C21H29F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14,17,29H,4-7,9,11-12H2,1-3H3/t13-,14+,17-,20+/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 19.9n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR3 receptor assessed as human IP10-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 114-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.008
BindingDB Entry DOI: 10.7270/Q29Z94R0
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50254678
PNG
((1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyr...)
Show SMILES C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C
Show InChI InChI=1S/C21H27F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3/t13-,14+,20+/m0/s1
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 25.1n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR3 receptor assessed as human IP10-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 114-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.008
BindingDB Entry DOI: 10.7270/Q29Z94R0
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50412558
PNG
(CHEMBL464081)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)C2
Show InChI InChI=1S/C20H26F3N3O3S/c1-18(2)14-5-6-19(18,16(27)11-14)13-30(28,29)26-9-7-25(8-10-26)17-4-3-15(12-24-17)20(21,22)23/h3-4,12,14H,5-11,13H2,1-2H3/t14-,19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 126n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR3 receptor assessed as human IP10-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 114-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.008
BindingDB Entry DOI: 10.7270/Q29Z94R0
More data for this
Ligand-Target Pair