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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 = 'BDBM50092214'   
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))		BDBM50092214
PNG
(CHEMBL3581268)
Show SMILES C[C@@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r|
Show InChI InChI=1S/C38H51N11O6/c1-22-32(51)47-30(20-23-12-15-27(50)16-13-23)35(54)46-28(9-5-17-43-37(39)40)33(52)45-29(10-6-18-44-38(41)42)34(53)48-31(36(55)49(22)2)21-24-11-14-25-7-3-4-8-26(25)19-24/h3-4,7-8,11-16,19,22,28-31,50H,5-6,9-10,17-18,20-21H2,1-2H3,(H,45,52)(H,46,54)(H,47,51)(H,48,53)(H4,39,40,43)(H4,41,42,44)/t22-,28-,29-,30+,31-/m0/s1
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 1.50E+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