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PubMed code 25122198

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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50239965
PNG
(BROMHEXINE | Bromhexine | CHEBI:77032)
Show SMILES CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1
Show InChI InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3
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MCE
PC cid
PC sid
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Similars

PubMed
n/an/a 750n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center



Assay Description
To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...


Cancer Discov 4: 1310-25 (2014)


BindingDB Entry DOI: 10.7270/Q2HD7Z13
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM420291
PNG
(0591-5329 | 4-(Methoxycarbonyl)phenyl thiophene-2-...)
Show SMILES COC(=O)c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C13H10O4S/c1-16-12(14)9-4-6-10(7-5-9)17-13(15)11-3-2-8-18-11/h2-8H,1H3
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PubMed
n/an/a 930n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center



Assay Description
To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...


Cancer Discov 4: 1310-25 (2014)


BindingDB Entry DOI: 10.7270/Q2HD7Z13
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50022172
PNG
((7-Hydroxy-2-oxo-2H-chromen-4-yl)-acetic acid meth...)
Show SMILES COC(=O)Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C12H10O5/c1-16-11(14)4-7-5-12(15)17-10-6-8(13)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3
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CHEMBL
PC cid
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PubMed
n/an/a 1.37E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center



Assay Description
To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...


Cancer Discov 4: 1310-25 (2014)


BindingDB Entry DOI: 10.7270/Q2HD7Z13
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM420294
PNG
(8008-1235 | N-[4-(4-chlorophenyl)-3-ethyl-1,3-thia...)
Show SMILES CCn1c(csc1=Nc1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2S/c1-2-20-16(13-8-10-14(18)11-9-13)12-21-17(20)19-15-6-4-3-5-7-15/h3-12H,2H2,1H3/b19-17+
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PubMed
n/an/a 2.64E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center



Assay Description
To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...


Cancer Discov 4: 1310-25 (2014)


BindingDB Entry DOI: 10.7270/Q2HD7Z13
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM420292
PNG
(4401-0077 | Antidepressant agent 1)
Show SMILES CCN1CCn2c3C1CCCc3c1cc(Br)ccc21
Show InChI InChI=1S/C16H19BrN2/c1-2-18-8-9-19-14-7-6-11(17)10-13(14)12-4-3-5-15(18)16(12)19/h6-7,10,15H,2-5,8-9H2,1H3
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PubMed
n/an/a 2.68E+3n/an/an/an/an/an/a



Fred Hutchinson Cancer Research Center



Assay Description
To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...


Cancer Discov 4: 1310-25 (2014)


BindingDB Entry DOI: 10.7270/Q2HD7Z13
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%