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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 4' and Ligand = 'BDBM50250722'   
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
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50250722
PNG
(CHEMBL4087597)
Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(O)=O)C(C)(C)SSC1(C)C |r|
Show InChI InChI=1S/C45H67N13O9S2/c1-25(52-36(61)29(53-26(2)59)19-13-21-50-42(46)47)35(60)57-33-40(65)54-30(20-14-22-51-43(48)49)37(62)55-31(23-27-15-9-7-10-16-27)38(63)56-32(24-28-17-11-8-12-18-28)39(64)58-34(41(66)67)45(5,6)69-68-44(33,3)4/h7-12,15-18,25,29-34H,13-14,19-24H2,1-6H3,(H,52,61)(H,53,59)(H,54,65)(H,55,62)(H,56,63)(H,57,60)(H,58,64)(H,66,67)(H4,46,47,50)(H4,48,49,51)/t25-,29-,30-,31-,32-,33-,34+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Campania

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method

J Med Chem 60: 9641-9652 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01062
BindingDB Entry DOI: 10.7270/Q28S4SBJ
More data for this
Ligand-Target Pair