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BDBM50225720 CHEMBL250657::N-(4-(3,4-dichlorophenyl)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)-c1ccc(Cl)c(Cl)c1)=CC2

InChI Key: InChIKey=ALWKLBLANVUFLD-HKUYNNGSSA-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 = 50225720   
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))
BDBM50225720
PNG
(CHEMBL250657 | N-(4-(3,4-dichlorophenyl)thiazol-2-...)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)=CC2 |c:31|
Show InChI InChI=1S/C24H29Cl2N3S/c1-24(2)17-5-3-16(19(24)12-17)13-29-9-7-18(8-10-29)27-23-28-22(14-30-23)15-4-6-20(25)21(26)11-15/h3-4,6,11,14,17-19H,5,7-10,12-13H2,1-2H3,(H,27,28)/t17-,19-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
460n/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