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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 = 'BDBM50428355'   
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))
BDBM50428355
PNG
(CHEMBL2331717)
Show SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C36H33N3O5/c1-42-33-19-27-16-17-39(22-28(27)20-34(33)43-2)21-23-8-10-24(11-9-23)26-12-14-29(36(41)44-3)32(18-26)38-35(40)31-15-13-25-6-4-5-7-30(25)37-31/h4-15,18-20H,16-17,21-22H2,1-3H3,(H,38,40)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 943n/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