BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Broad substrate specificity ATP-binding cassette transporter ABCG2' and Ligand = 'BDBM50394043'   
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))
BDBM50394043
PNG
(CHEMBL2158556)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C20H14N4O2/c25-24(26)16-12-10-15(11-13-16)21-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13H,(H,21,22,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/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
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50394043
PNG
(CHEMBL2158556)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C20H14N4O2/c25-24(26)16-12-10-15(11-13-16)21-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13H,(H,21,22,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 970n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human BCRP expressed in MDCK2 cells preincubated for 30 mins prior to Hoechst 33342 addition measured every 60 secs up to 120 mins by H...


Bioorg Med Chem Lett 22: 6766-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.024
BindingDB Entry DOI: 10.7270/Q2QJ7JD9
More data for this
Ligand-Target Pair