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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 3261   
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))
BDBM3261
PNG
(4-Anilino quinazoline deriv. 12 | N-(3-methoxyphen...)
Show SMILES COc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C15H13N3O/c1-19-12-6-4-5-11(9-12)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 645n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3261
PNG
(4-Anilino quinazoline deriv. 12 | N-(3-methoxyphen...)
Show SMILES COc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C15H13N3O/c1-19-12-6-4-5-11(9-12)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 842n/an/an/an/a7.422



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3482-7 (1995)


Article DOI: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair