BindingDB logo
myBDB logout

BDBM50369286 CHEMBL4167574

SMILES: COc1cc(\C=C\C(=O)c2cc(Cl)ccc2Cl)ccc1O

InChI Key: InChIKey=AAWGNJDAYBHOFO-QHHAFSJGSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369286   
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))
BDBM50369286
PNG
(CHEMBL4167574)
Show SMILES COc1cc(\C=C\C(=O)c2cc(Cl)ccc2Cl)ccc1O
Show InChI InChI=1S/C16H12Cl2O3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)12-9-11(17)4-5-13(12)18/h2-9,20H,1H3/b6-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
53n/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