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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromal cell-derived factor 1' and Ligand = 'BDBM50369317'   
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
Stromal cell-derived factor 1


(Homo sapiens (Human))
BDBM50369317
PNG
(CHEMBL4162350)
Show SMILES COc1cc(ccc1O)C1CC(=NN1C(C)=O)c1ccc(Cl)cc1 |c:12|
Show InChI InChI=1S/C18H17ClN2O3/c1-11(22)21-16(13-5-8-17(23)18(9-13)24-2)10-15(20-21)12-3-6-14(19)7-4-12/h3-9,16,23H,10H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
>1.00E+4n/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