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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 106221   
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))
BDBM106221
PNG
(US9695174, Ko134)
Show SMILES CC(C)C[C@@H]1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C2=O |r|
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co.

Curated by ChEMBL


Assay Description
Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate assessed as Ko143 IC50 measured at 30 to 120 mins by microplate scinti...


Bioorg Med Chem Lett 26: 551-555 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.077
BindingDB Entry DOI: 10.7270/Q2HX1GPQ
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM106221
PNG
(US9695174, Ko134)
Show SMILES CC(C)C[C@@H]1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C2=O |r|
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem

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US Patent
n/an/a 3.25E+3n/an/an/an/a7.437



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...


US Patent US9695174 (2017)


BindingDB Entry DOI: 10.7270/Q2DN436B
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM106221
PNG
(US9695174, Ko134)
Show SMILES CC(C)C[C@@H]1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C2=O |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.25E+3n/an/an/an/an/an/a



Takeda Pharmaceuticals International Co.

Curated by ChEMBL


Assay Description
Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate measured at 30 to 120 mins by microplate scintillation and luminescenc...


Bioorg Med Chem Lett 26: 551-555 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.077
BindingDB Entry DOI: 10.7270/Q2HX1GPQ
More data for this
Ligand-Target Pair