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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family G member 2' and Ligand = 'BDBM50009160'   
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))
BDBM50009160
PNG
(CHEMBL3238330)
Show SMILES COc1cccc(OC)c1\C=C\C(=O)c1ccc(cc1)C(=O)\C=C\c1c(OC)cccc1OC
Show InChI InChI=1S/C28H26O6/c1-31-25-7-5-8-26(32-2)21(25)15-17-23(29)19-11-13-20(14-12-19)24(30)18-16-22-27(33-3)9-6-10-28(22)34-4/h5-18H,1-4H3/b17-15+,18-16+
PDB

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Article
PubMed
n/an/a 190n/an/an/an/an/an/a



BMSSI UMR5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of human ABCG2 ATPase activity transfected in Sf9 insect cells using quercetin as substrate after 30 mins by colorimetry relative to contr...


J Med Chem 57: 2930-41 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50009160
PNG
(CHEMBL3238330)
Show SMILES COc1cccc(OC)c1\C=C\C(=O)c1ccc(cc1)C(=O)\C=C\c1c(OC)cccc1OC
Show InChI InChI=1S/C28H26O6/c1-31-25-7-5-8-26(32-2)21(25)15-17-23(29)19-11-13-20(14-12-19)24(30)18-16-22-27(33-3)9-6-10-28(22)34-4/h5-18H,1-4H3/b17-15+,18-16+
PDB

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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 126n/an/an/an/a



BMSSI UMR5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux at 5 uM after 30 mins in presence of 0...


J Med Chem 57: 2930-41 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50009160
PNG
(CHEMBL3238330)
Show SMILES COc1cccc(OC)c1\C=C\C(=O)c1ccc(cc1)C(=O)\C=C\c1c(OC)cccc1OC
Show InChI InChI=1S/C28H26O6/c1-31-25-7-5-8-26(32-2)21(25)15-17-23(29)19-11-13-20(14-12-19)24(30)18-16-22-27(33-3)9-6-10-28(22)34-4/h5-18H,1-4H3/b17-15+,18-16+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 15n/an/an/an/a



BMSSI UMR5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux at 5 uM after 30 mins in presence of 0...


J Med Chem 57: 2930-41 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50009160
PNG
(CHEMBL3238330)
Show SMILES COc1cccc(OC)c1\C=C\C(=O)c1ccc(cc1)C(=O)\C=C\c1c(OC)cccc1OC
Show InChI InChI=1S/C28H26O6/c1-31-25-7-5-8-26(32-2)21(25)15-17-23(29)19-11-13-20(14-12-19)24(30)18-16-22-27(33-3)9-6-10-28(22)34-4/h5-18H,1-4H3/b17-15+,18-16+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



BMSSI UMR5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux after 30 mins by flow cytometry relati...


J Med Chem 57: 2930-41 (2014)

More data for this
Ligand-Target Pair