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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 = 'BDBM50428350'   
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))
BDBM50428350
PNG
(CHEMBL2331724)
Show SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C37H35N3O5/c1-43-34-21-28-17-19-40(23-29(28)22-35(34)44-2)18-16-24-8-10-25(11-9-24)27-12-14-30(37(42)45-3)33(20-27)39-36(41)32-15-13-26-6-4-5-7-31(26)38-32/h4-15,20-22H,16-19,23H2,1-3H3,(H,39,41)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.21E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 in human MCF7/Topo cells after 2 hrs by Hoechst 33342 microplate assay


ACS Med Chem Lett 4: 393-6 (2013)


Article DOI: 10.1021/ml4000832
BindingDB Entry DOI: 10.7270/Q2T72JRQ
More data for this
Ligand-Target Pair