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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 = 'BDBM50264097'   
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))		BDBM50264097
PNG
(CHEMBL4085603)
Show SMILES CC(C)C[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/C42H58N10O7/c1-25(2)21-35-38(56)49-32(23-26-14-17-30(53)18-15-26)36(54)48-31(11-7-19-46-41(43)44)39(57)51(3)34(12-8-20-47-42(45)59)37(55)50-33(40(58)52(35)4)24-27-13-16-28-9-5-6-10-29(28)22-27/h5-6,9-10,13-18,22,25,31-35,53H,7-8,11-12,19-21,23-24H2,1-4H3,(H,48,54)(H,49,56)(H,50,55)(H4,43,44,46)(H3,45,47,59)/t31-,32+,33-,34-,35-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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