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Compile Data Set for Download or QSAR

Found 16 hits of ic50 data for polymerid = 2203   
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
Matriptase


(Homo sapiens (human))
BDBM51911
PNG
((4-isopropoxybenzyl)-[3-(2-methoxyphenyl)-3-(4-met...)
Show SMILES COc1ccc(cc1)C(CCNCc1ccc(OC(C)C)cc1)c1ccccc1OC
Show InChI InChI=1S/C27H33NO3/c1-20(2)31-24-13-9-21(10-14-24)19-28-18-17-25(22-11-15-23(29-3)16-12-22)26-7-5-6-8-27(26)30-4/h5-16,20,25,28H,17-19H2,1-4H3
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n/an/a 420n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human matriptase measured after 15 mins at pH 8 by fluorescence assay


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM32709
PNG
((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Show SMILES Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
Show InChI InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)
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n/an/a 570n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human matriptase measured after 15 mins at pH 8 by fluorescence assay


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50358189
PNG
(CHEMBL1921967)
Show SMILES Cc1nc(sc1C)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1cccs1
Show InChI InChI=1S/C18H14N2O3S3/c1-9-10(2)26-18(19-9)20-14(11-5-3-7-24-11)13(16(22)17(20)23)15(21)12-6-4-8-25-12/h3-8,13-14H,1-2H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of acid-induced matriptase activation in human 184A1N4 cells using mAb M69 by cell-based ELISA like assay


J Med Chem 54: 7567-78 (2011)


Article DOI: 10.1021/jm200920s
BindingDB Entry DOI: 10.7270/Q21Z44VZ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50358190
PNG
(CHEMBL1921968)
Show SMILES Cc1nc(sc1C)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccccc1
Show InChI InChI=1S/C20H16N2O3S2/c1-11-12(2)27-20(21-11)22-16(13-7-4-3-5-8-13)15(18(24)19(22)25)17(23)14-9-6-10-26-14/h3-10,15-16H,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of acid-induced matriptase activation in human 184A1N4 cells using mAb M69 by cell-based ELISA like assay


J Med Chem 54: 7567-78 (2011)


Article DOI: 10.1021/jm200920s
BindingDB Entry DOI: 10.7270/Q21Z44VZ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50358188
PNG
(CHEMBL1921966)
Show SMILES O=C(C1C(N(C(=O)C1=O)c1nccs1)c1cccs1)c1cccs1
Show InChI InChI=1S/C16H10N2O3S3/c19-13(10-4-2-7-23-10)11-12(9-3-1-6-22-9)18(15(21)14(11)20)16-17-5-8-24-16/h1-8,11-12H
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n/an/a 9.80E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of acid-induced matriptase activation in human 184A1N4 cells using mAb M69 by cell-based ELISA like assay


J Med Chem 54: 7567-78 (2011)


Article DOI: 10.1021/jm200920s
BindingDB Entry DOI: 10.7270/Q21Z44VZ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50358191
PNG
(CHEMBL1921969)
Show SMILES Cc1nc(sc1C)N1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1cccs1
Show InChI InChI=1S/C20H16N2O3S2/c1-11-12(2)27-20(21-11)22-16(14-9-6-10-26-14)15(18(24)19(22)25)17(23)13-7-4-3-5-8-13/h3-10,15-16H,1-2H3
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n/an/a 2.18E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of acid-induced matriptase activation in human 184A1N4 cells using mAb M69 by cell-based ELISA like assay


J Med Chem 54: 7567-78 (2011)


Article DOI: 10.1021/jm200920s
BindingDB Entry DOI: 10.7270/Q21Z44VZ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM33882
PNG
((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...)
Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1
Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)
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n/an/a>3.00E+4n/an/an/an/a8.0n/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human matriptase measured after 15 mins at pH 8 by fluorescence assay


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM33453
PNG
((3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-m...)
Show SMILES COc1ccc(cc1)C(=O)n1cnnc1N
Show InChI InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-13-10(14)11/h2-6H,1H3,(H2,11,13)
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n/an/a>3.00E+4n/an/an/an/a8.0n/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human matriptase measured after 15 mins at pH 8 by fluorescence assay


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM33437
PNG
((5-amino-3-phenyl-1,2,4-triazol-1-yl)-(3,4-dimetho...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1
Show InChI InChI=1S/C17H16N4O3/c1-23-13-9-8-12(10-14(13)24-2)16(22)21-17(18)19-15(20-21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,18,19,20)
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n/an/a>3.00E+4n/an/an/an/a8.0n/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human matriptase measured after 15 mins at pH 8 by fluorescence assay


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50444599
PNG
(CHEMBL3099875)
Show SMILES CCOc1cccc(NC(=O)C(=C/c2ccc(OCC(O)=O)c(OC)c2)\C#N)c1
Show InChI InChI=1S/C21H20N2O6/c1-3-28-17-6-4-5-16(11-17)23-21(26)15(12-22)9-14-7-8-18(19(10-14)27-2)29-13-20(24)25/h4-11H,3,13H2,1-2H3,(H,23,26)(H,24,25)/b15-9-
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n/an/a 7.50E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50444603
PNG
(CHEMBL3099871)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
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n/an/a 9.80E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50444597
PNG
(CHEMBL3099882)
Show SMILES COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC
Show InChI InChI=1S/C20H19FN2O4S/c1-12-4-6-14(21)10-15(12)22-11-23-19(24)18(28-20(23)25)9-13-5-7-16(26-2)17(8-13)27-3/h4-10,22H,11H2,1-3H3/b18-9+
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n/an/a 1.03E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50444604
PNG
(CHEMBL3099870)
Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
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n/an/a 1.11E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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n/an/a 1.20E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50444598
PNG
(CHEMBL3099878)
Show SMILES COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1
Show InChI InChI=1S/C23H22N4O4/c1-29-21-13-16(6-7-20(21)31-15-22(28)27-8-10-30-11-9-27)12-17(14-24)23-25-18-4-2-3-5-19(18)26-23/h2-7,12-13H,8-11,15H2,1H3,(H,25,26)/b17-12-
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n/an/a 1.28E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50444596
PNG
(CHEMBL3099883)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1COc1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClO4/c1-27-23-13-3-16(2-12-22(26)17-4-8-20(25)9-5-17)14-18(23)15-28-21-10-6-19(24)7-11-21/h2-14,25H,15H2,1H3/b12-2+
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n/an/a 1.38E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair