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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 = 'BDBM50263991'   
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))		BDBM50263991
PNG
(CHEMBL4102017)
Show SMILES CSCC[C@@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r|
Show InChI InChI=1S/C41H56N10O7S/c1-50-33(11-7-20-46-41(44)58)36(54)49-32(24-26-12-15-27-8-4-5-9-28(27)22-26)39(57)51(2)34(18-21-59-3)37(55)48-31(23-25-13-16-29(52)17-14-25)35(53)47-30(38(50)56)10-6-19-45-40(42)43/h4-5,8-9,12-17,22,30-34,52H,6-7,10-11,18-21,23-24H2,1-3H3,(H,47,53)(H,48,55)(H,49,54)(H4,42,43,45)(H3,44,46,58)/t30-,31+,32-,33-,34-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 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