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BDBM50198405 1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)-3-(5-(3-methoxyphenyl)thiophen-2-yl)urea::CHEMBL244399

SMILES: COc1cccc(c1)-c1ccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)s1

InChI Key: InChIKey=MXVSXIFEPKIFKU-REWPJTCUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198405   
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))
BDBM50198405
PNG
(1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)s1 |t:22|
Show InChI InChI=1S/C27H35N3O2S/c1-27(2)20-8-7-19(23(27)16-20)17-30-13-11-21(12-14-30)28-26(31)29-25-10-9-24(33-25)18-5-4-6-22(15-18)32-3/h4-7,9-10,15,20-21,23H,8,11-14,16-17H2,1-3H3,(H2,28,29,31)/t20-,23-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
29n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 697-701 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.088
BindingDB Entry DOI: 10.7270/Q2833RPB
More data for this
Ligand-Target Pair