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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 = 'BDBM50202240'   
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))
BDBM50202240
PNG
(CHEMBL3947261)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)C(CC(C)C)NC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1
Show InChI InChI=1S/C34H34BrN3O6/c1-20(2)15-27(33(40)36-14-13-22-18-37-26-12-11-24(42-3)16-25(22)26)38-34(41)31-17-28(39)32-29(5-4-6-30(32)44-31)43-19-21-7-9-23(35)10-8-21/h4-12,16-18,20,27,37H,13-15,19H2,1-3H3,(H,36,40)(H,38,41)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 910n/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