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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 = 'BDBM50264093'   
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))		BDBM50264093
PNG
(CHEMBL4094069)
Show SMILES [H][C@@]12Cc3[nH]c4ccccc4c3CN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|
Show InChI InChI=1S/C47H55N11O7/c1-57-39(13-7-21-52-47(50)65)42(61)56-38(24-28-14-17-29-8-2-3-9-30(29)22-28)45(64)58-26-33-32-10-4-5-11-34(32)53-36(33)25-40(58)43(62)55-37(23-27-15-18-31(59)19-16-27)41(60)54-35(44(57)63)12-6-20-51-46(48)49/h2-5,8-11,14-19,22,35,37-40,53,59H,6-7,12-13,20-21,23-26H2,1H3,(H,54,60)(H,55,62)(H,56,61)(H4,48,49,51)(H3,50,52,65)/t35-,37+,38-,39-,40-/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