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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 = 'BDBM50300902'   
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))
BDBM50300902
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]p...)
Show SMILES CCc1nccn2c(c(nc12)[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)-c1ccc(cc1)C#N
Show InChI InChI=1S/C30H29F4N5O3S/c1-4-25-29-37-27(28(39(29)13-12-36-25)22-9-6-20(18-35)7-10-22)19(3)38(14-15-43(41,42)5-2)26(40)17-21-8-11-23(24(31)16-21)30(32,33)34/h6-13,16,19H,4-5,14-15,17H2,1-3H3/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/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))
BDBM50300902
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]p...)
Show SMILES CCc1nccn2c(c(nc12)[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)-c1ccc(cc1)C#N
Show InChI InChI=1S/C30H29F4N5O3S/c1-4-25-29-37-27(28(39(29)13-12-36-25)22-9-6-20(18-35)7-10-22)19(3)38(14-15-43(41,42)5-2)26(40)17-21-8-11-23(24(31)16-21)30(32,33)34/h6-13,16,19H,4-5,14-15,17H2,1-3H3/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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))
BDBM50300902
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]p...)
Show SMILES CCc1nccn2c(c(nc12)[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)-c1ccc(cc1)C#N
Show InChI InChI=1S/C30H29F4N5O3S/c1-4-25-29-37-27(28(39(29)13-12-36-25)22-9-6-20(18-35)7-10-22)19(3)38(14-15-43(41,42)5-2)26(40)17-21-8-11-23(24(31)16-21)30(32,33)34/h6-13,16,19H,4-5,14-15,17H2,1-3H3/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/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