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BDBM50428351 CHEMBL2331725

SMILES: COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1ccc(CN2CCc3ccccc3C2)cc1

InChI Key: InChIKey=ISUMZRKRZDJHAN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50428351   
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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50428351
PNG
(CHEMBL2331725)
Show SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1ccc(CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C34H29N3O3/c1-40-34(39)29-16-14-27(20-32(29)36-33(38)31-17-15-26-7-4-5-9-30(26)35-31)25-12-10-23(11-13-25)21-37-19-18-24-6-2-3-8-28(24)22-37/h2-17,20H,18-19,21-22H2,1H3,(H,36,38)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.46E+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