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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Atypical chemokine receptor 3' and Ligand = 'BDBM50555345'   
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))
BDBM50555345
PNG
(CHEMBL4799528 | US11306078, Example 2.072)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CCC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01588
BindingDB Entry DOI: 10.7270/Q20P13P3
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555345
PNG
(CHEMBL4799528 | US11306078, Example 2.072)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CCC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Tango CXCR7-bla U2OS cells are detached from culture dishes with 0.05% trypsin-EDTA and collected in growing medium (McCoy's 5A 90% (v/v), dialyz...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185P5
More data for this
Ligand-Target Pair