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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transmembrane protease serine 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Transmembrane protease serine 2


(Homo sapiens)
BDBM50324475
PNG
(Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzy...)
Show SMILES NC(=N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H36N8O4S/c27-23(28)20-12-10-18(11-13-20)16-32-24(35)22-9-5-15-34(22)25(36)21(8-4-14-31-26(29)30)33-39(37,38)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,21-22,33H,4-5,8-9,14-17H2,(H3,27,28)(H,32,35)(H4,29,30,31)/t21-,22+/m1/s1
KEGG

UniProtKB/SwissProt

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PC sid
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20n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant catalytic domain of TMPRSS2 expressed in Escherichia coli using Dcyclohexylalanine- Pro-Arg-AMC as substrate by fluorescenc...


Bioorg Med Chem Lett 21: 4860-4 (2011)

More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens)
BDBM50349344
PNG
(CHEMBL1809250)
Show SMILES CCC(NCc1ccc(cc1)C(N)=N)C(=O)[C@@H](CCCN=C(N)N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H35N7O3S/c1-2-20(30-15-17-10-12-19(13-11-17)23(25)26)22(32)21(9-6-14-29-24(27)28)31-35(33,34)16-18-7-4-3-5-8-18/h3-5,7-8,10-13,20-21,30-31H,2,6,9,14-16H2,1H3,(H3,25,26)(H4,27,28,29)/t20?,21-/m1/s1
KEGG

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PubMed
53n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant catalytic domain of TMPRSS2 expressed in Escherichia coli using Dcyclohexylalanine- Pro-Arg-AMC as substrate by fluorescenc...


Bioorg Med Chem Lett 21: 4860-4 (2011)

More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens)
BDBM50349345
PNG
(CHEMBL1809251)
Show SMILES CCC[C@H](NCc1ccc(cc1)C(N)=N)C(=O)[C@@H](CCCN=C(N)N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H37N7O3S/c1-2-7-21(31-16-18-11-13-20(14-12-18)24(26)27)23(33)22(10-6-15-30-25(28)29)32-36(34,35)17-19-8-4-3-5-9-19/h3-5,8-9,11-14,21-22,31-32H,2,6-7,10,15-17H2,1H3,(H3,26,27)(H4,28,29,30)/t21-,22+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
68n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant catalytic domain of TMPRSS2 expressed in Escherichia coli using Dcyclohexylalanine- Pro-Arg-AMC as substrate by fluorescenc...


Bioorg Med Chem Lett 21: 4860-4 (2011)

More data for this
Ligand-Target Pair