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BDBM50301348 CHEMBL577409::N-benzyl-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)piperazin-1-yl)nicotinamide

SMILES: Clc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCc2ccccc2)cc1

InChI Key: InChIKey=SDBKADIGSPMMAF-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50301348   
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))
BDBM50301348
PNG
(CHEMBL577409 | N-benzyl-5-chloro-6-(4-(1-(4-chloro...)
Show SMILES Clc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C29H33Cl2N5O/c30-25-8-6-23(7-9-25)21-34-12-10-26(11-13-34)35-14-16-36(17-15-35)28-27(31)18-24(20-32-28)29(37)33-19-22-4-2-1-3-5-22/h1-9,18,20,26H,10-17,19,21H2,(H,33,37)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
140n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting


Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair