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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family G member 2' and Ligand = 'BDBM50202241'   
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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50202241
PNG
(CHEMBL3975579)
Show SMILES Brc1ccc(COc2cccc3oc(cc(=O)c23)C(=O)NCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H21BrN2O4/c28-19-10-8-17(9-11-19)16-33-23-6-3-7-24-26(23)22(31)14-25(34-24)27(32)29-13-12-18-15-30-21-5-2-1-4-20(18)21/h1-11,14-15,30H,12-13,16H2,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.05E+3n/an/an/an/a



Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by flow cytometric analysis


Eur J Med Chem 122: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.053
BindingDB Entry DOI: 10.7270/Q28K7C22
More data for this
Ligand-Target Pair