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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 = 'BDBM50092223'   
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))		BDBM50092223
PNG
(CHEMBL3581284)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|
Show InChI InChI=1S/C37H46N8O6/c1-22-32(47)43-30(21-24-11-14-25-7-3-4-8-26(25)19-24)36(51)45-18-6-10-31(45)34(49)42-29(20-23-12-15-27(46)16-13-23)33(48)41-28(35(50)44(22)2)9-5-17-40-37(38)39/h3-4,7-8,11-16,19,22,28-31,46H,5-6,9-10,17-18,20-21H2,1-2H3,(H,41,48)(H,42,49)(H,43,47)(H4,38,39,40)/t22-,28-,29+,30-,31-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay

J Med Chem 58: 5218-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00216
BindingDB Entry DOI: 10.7270/Q29P33CM
More data for this
Ligand-Target Pair