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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 = 'BDBM50263894'   
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))		BDBM50263894
PNG
(CHEMBL4065322)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O)[C@@H](C)O |r|
Show InChI InChI=1S/C38H48N8O7/c1-22(47)32-37(53)45(2)30(9-5-17-41-38(39)40)34(50)43-29(21-24-11-14-25-7-3-4-8-26(25)19-24)36(52)46-18-6-10-31(46)35(51)42-28(33(49)44-32)20-23-12-15-27(48)16-13-23/h3-4,7-8,11-16,19,22,28-32,47-48H,5-6,9-10,17-18,20-21H2,1-2H3,(H,42,51)(H,43,50)(H,44,49)(H4,39,40,41)/t22-,28-,29+,30+,31+,32+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method

J Med Chem 61: 3745-3751 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00336
BindingDB Entry DOI: 10.7270/Q23B62M5
More data for this
Ligand-Target Pair