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1 similar compounds to monomer 50229381

Compile data set for download or QSAR
Wt: 598.6
BDBM50229383

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50229383   
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 (Human))
BDBM50229383
PNG
((R)-N-(1-(3-(4-cyanophenyl)-1,8-naphthyridin-2-yl)...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2cc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H26F4N4O3S/c1-3-42(40,41)14-13-38(27(39)16-21-8-11-26(31)25(15-21)30(32,33)34)19(2)28-24(22-9-6-20(18-35)7-10-22)17-23-5-4-12-36-29(23)37-28/h4-12,15,17,19H,3,13-14,16H2,1-2H3/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3 receptor expressed in human PBMC in RPMI-1640 buffer supplemented with 0.5% BSA


Bioorg Med Chem Lett 18: 688-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229383
PNG
((R)-N-(1-(3-(4-cyanophenyl)-1,8-naphthyridin-2-yl)...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2cc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H26F4N4O3S/c1-3-42(40,41)14-13-38(27(39)16-21-8-11-26(31)25(15-21)30(32,33)34)19(2)28-24(22-9-6-20(18-35)7-10-22)17-23-5-4-12-36-29(23)37-28/h4-12,15,17,19H,3,13-14,16H2,1-2H3/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3 receptor expressed in human PBMC in EDTA-anti-coagulated human plasma


Bioorg Med Chem Lett 18: 688-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229383
PNG
((R)-N-(1-(3-(4-cyanophenyl)-1,8-naphthyridin-2-yl)...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2cc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H26F4N4O3S/c1-3-42(40,41)14-13-38(27(39)16-21-8-11-26(31)25(15-21)30(32,33)34)19(2)28-24(22-9-6-20(18-35)7-10-22)17-23-5-4-12-36-29(23)37-28/h4-12,15,17,19H,3,13-14,16H2,1-2H3/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR3 assessed as ITAC-mediated migration of human PBMC in presence of 100% human plasma


Bioorg Med Chem Lett 18: 688-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair