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BDBM50225728 CHEMBL250483::N-(3-(3,5-bis(trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-yl)-1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-amine

SMILES: CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)Nc1nc(ns1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=CC2

InChI Key: InChIKey=TZRGGOZFUMLKLA-JXFKEZNVSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225728   
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))
BDBM50225728
PNG
(CHEMBL250483 | N-(3-(3,5-bis(trifluoromethyl)pheny...)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)Nc1nc(ns1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=CC2 |c:37|
Show InChI InChI=1S/C25H28F6N4S/c1-23(2)16-4-3-14(20(23)12-16)13-35-7-5-19(6-8-35)32-22-33-21(34-36-22)15-9-17(24(26,27)28)11-18(10-15)25(29,30)31/h3,9-11,16,19-20H,4-8,12-13H2,1-2H3,(H,32,33,34)/t16-,20-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
270n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor expressed in CHO membrane by ITAC-stimulated GTP gammaS assay


Bioorg Med Chem Lett 17: 6806-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.029
BindingDB Entry DOI: 10.7270/Q24F1QGP
More data for this
Ligand-Target Pair