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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family G member 2' and Ligand = 'BDBM3264'   
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))
BDBM3264
PNG
(4-Anilino quinazoline deriv. 15 | CHEMBL290096 | N...)
Show SMILES Brc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C14H10BrN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 1.08E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation treated 30 mins before Hoechst 33342 addition measured up to...


Bioorg Med Chem 21: 7858-73 (2013)


Article DOI: 10.1016/j.bmc.2013.10.007
BindingDB Entry DOI: 10.7270/Q2TX3GT2
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM3264
PNG
(4-Anilino quinazoline deriv. 15 | CHEMBL290096 | N...)
Show SMILES Brc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C14H10BrN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.48E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human BCRP expressed in MDCK2 cells assessed as pheophorbide A accumulation treated 30 mins before pheophorbide A addition measured up ...


Bioorg Med Chem 21: 7858-73 (2013)


Article DOI: 10.1016/j.bmc.2013.10.007
BindingDB Entry DOI: 10.7270/Q2TX3GT2
More data for this
Ligand-Target Pair