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SMILES: Cl.NCCOCCOc1cc(\C=C2/Cc3cc(Cl)ccc3C2=O)ccc1O

InChI Key: InChIKey=AOKKKOKVJPIFEJ-OQLLNIDSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369320   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Stromal cell-derived factor 1


(Homo sapiens (Human))		BDBM50369320
PNG
(CHEMBL4175047)
Show SMILES Cl.NCCOCCOc1cc(\C=C2/Cc3cc(Cl)ccc3C2=O)ccc1O
Show InChI InChI=1S/C20H20ClNO4/c21-16-2-3-17-14(12-16)11-15(20(17)24)9-13-1-4-18(23)19(10-13)26-8-7-25-6-5-22/h1-4,9-10,12,23H,5-8,11,22H2/b15-9+
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Article
PubMed
 496n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...

J Med Chem 61: 7671-7686 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00657
BindingDB Entry DOI: 10.7270/Q2QF8WDS
More data for this
Ligand-Target Pair