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BDBM50225724 CHEMBL250658::N-(4-(3,5-bis(trifluoromethyl)phenyl)thiazol-2-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(cs1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=CC2

InChI Key: InChIKey=QPFRKTUZRFTNPS-UWJYYQICSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225724   
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))
BDBM50225724
PNG
(CHEMBL250658 | N-(4-(3,5-bis(trifluoromethyl)pheny...)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)Nc1nc(cs1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=CC2 |c:37|
Show InChI InChI=1S/C26H29F6N3S/c1-24(2)17-4-3-15(21(24)12-17)13-35-7-5-20(6-8-35)33-23-34-22(14-36-23)16-9-18(25(27,28)29)11-19(10-16)26(30,31)32/h3,9-11,14,17,20-21H,4-8,12-13H2,1-2H3,(H,33,34)/t17-,21-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
260n/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