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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50507006   
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
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50507006
PNG
(CHEMBL4456005)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H14N4O3/c26-21(15-9-6-10-16(13-15)25(27)28)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,22,23,24,26)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 72 hrs by MTT assay


Eur J Med Chem 161: 506-525 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.026
BindingDB Entry DOI: 10.7270/Q23N26P9
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50507006
PNG
(CHEMBL4456005)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H14N4O3/c26-21(15-9-6-10-16(13-15)25(27)28)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,22,23,24,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins followed by Hoechst 3334...


Eur J Med Chem 161: 506-525 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.026
BindingDB Entry DOI: 10.7270/Q23N26P9
More data for this
Ligand-Target Pair