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PubMed code 32223194

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Exportin-1


(Homo sapiens (Human))
BDBM50527779
PNG
(CHEMBL4440028)
Show SMILES [O-][S@@+](\C=C\CCN=C=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C13H9F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-7H,1,3H2/b4-2+/t23-/m0/s1
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UniChem
Article
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n/an/a 151n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of CRM1 in human HCT-15 cells assessed as reduction in cell viability incubated for 24 hrs


J Med Chem 63: 3881-3895 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01663
BindingDB Entry DOI: 10.7270/Q26H4MW8
More data for this
Ligand-Target Pair
Exportin-1


(Homo sapiens (Human))
BDBM50527777
PNG
(CHEMBL4458289)
Show SMILES [O-][S+](\C=C\CCN=C=S)c1ccccc1
Show InChI InChI=1S/C11H11NOS2/c13-15(9-5-4-8-12-10-14)11-6-2-1-3-7-11/h1-3,5-7,9H,4,8H2/b9-5+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of nuclear CRM1 (unknown origin) by cell based assay


J Med Chem 63: 3881-3895 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01663
BindingDB Entry DOI: 10.7270/Q26H4MW8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50527779
PNG
(CHEMBL4440028)
Show SMILES [O-][S@@+](\C=C\CCN=C=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C13H9F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-7H,1,3H2/b4-2+/t23-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in human HEK293 cells by whole cell patch clamp assay


J Med Chem 63: 3881-3895 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01663
BindingDB Entry DOI: 10.7270/Q26H4MW8
More data for this
Ligand-Target Pair
Exportin-1


(Homo sapiens (Human))
BDBM50527778
PNG
(KPT-330 | Selinexor | Xpovio)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)NNc2cnccn2)n1
Show InChI InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-
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PubMed
n/an/an/a 19n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant His-tagged CRM1 (unknown origin) by SPR analysis


J Med Chem 63: 3881-3895 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01663
BindingDB Entry DOI: 10.7270/Q26H4MW8
More data for this
Ligand-Target Pair
Exportin-1


(Homo sapiens (Human))
BDBM50527779
PNG
(CHEMBL4440028)
Show SMILES [O-][S@@+](\C=C\CCN=C=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C13H9F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-7H,1,3H2/b4-2+/t23-/m0/s1
PDB
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n/an/an/a 27n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to recombinant His-tagged CRM1 (unknown origin) by SPR analysis


J Med Chem 63: 3881-3895 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01663
BindingDB Entry DOI: 10.7270/Q26H4MW8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%