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BDBM50202241 CHEMBL3975579

SMILES: Brc1ccc(COc2cccc3oc(cc(=O)c23)C(=O)NCCc2c[nH]c3ccccc23)cc1

InChI Key: InChIKey=LJKBWXBHYNGHNL-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50202241   
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))
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

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


Citation and Details
More data for this
Ligand-Target Pair