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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Atypical chemokine receptor 3' and Ligand = 'BDBM50434053'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434053
PNG
(CHEMBL2381217)
Show SMILES CN(Cc1ccccc1NC(=O)\C=C\c1cnn(c1)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C26H30N4O/c1-29(23-11-4-2-5-12-23)20-22-10-8-9-15-25(22)28-26(31)17-16-21-18-27-30(19-21)24-13-6-3-7-14-24/h3,6-10,13-19,23H,2,4-5,11-12,20H2,1H3,(H,28,31)/b17-16+
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.84E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair