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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'merriman' and Initial = 'g'   
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
Kallikrein-6


(Homo sapiens (Human))
BDBM50386418
PNG
(CHEMBL2047313)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccc(s2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C28H28N4O4S2/c1-36-22-9-7-20-8-11-24(16-21(20)15-22)38(34,35)32(17-19-5-3-2-4-6-19)25-13-14-31(28(25)33)18-23-10-12-26(37-23)27(29)30/h2-12,15-16,25H,13-14,17-18H2,1H3,(H3,29,30)/t25-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...


ACS Med Chem Lett 3: 159-164 (2012)


Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM50386416
PNG
(CHEMBL2047314)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccsc1)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C26H26N4O4S3/c1-34-21-4-2-19-3-5-22(12-20(19)11-21)37(32,33)30(14-17-7-9-35-15-17)23-6-8-29(26(23)31)13-18-10-24(25(27)28)36-16-18/h2-5,7,9-12,15-16,23H,6,8,13-14H2,1H3,(H3,27,28)/t23-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...


ACS Med Chem Lett 3: 159-164 (2012)


Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM50080493
PNG
(5-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc(s2)C(N)=N)C1=O
Show InChI InChI=1S/C21H22N4O4S2/c1-29-15-4-2-13-3-6-17(11-14(13)10-15)31(27,28)24-18-8-9-25(21(18)26)12-16-5-7-19(30-16)20(22)23/h2-7,10-11,18,24H,8-9,12H2,1H3,(H3,22,23)/t18-/m0/s1
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n/an/a 7.75E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...


ACS Med Chem Lett 3: 159-164 (2012)


Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM50386417
PNG
(CHEMBL2047315)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2ccc(s2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-9-10-26(22(19)27)13-17-6-8-20(31-17)21(23)24)32(28,29)18-7-4-14-3-5-16(30-2)11-15(14)12-18/h3-8,11-12,19H,9-10,13H2,1-2H3,(H3,23,24)/t19-/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...


ACS Med Chem Lett 3: 159-164 (2012)


Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50363300
PNG
(CHEMBL1944897)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccn1
Show InChI InChI=1S/C24H23N3O2/c25-17-18-4-3-5-20(16-18)19-11-14-27(15-12-19)24(28)23-10-9-22(29-23)8-7-21-6-1-2-13-26-21/h1-6,9-10,13,16,19H,11-12,14-15,17,25H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor 10a


Bioorg Med Chem Lett 22: 1049-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.119
BindingDB Entry DOI: 10.7270/Q2TQ620D
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM50080492
PNG
(5-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(cs2)C(N)=N)C1=O
Show InChI InChI=1S/C21H22N4O4S2/c1-29-16-4-2-13-3-5-18(10-14(13)8-16)31(27,28)24-19-6-7-25(21(19)26)11-17-9-15(12-30-17)20(22)23/h2-5,8-10,12,19,24H,6-7,11H2,1H3,(H3,22,23)/t19-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...


ACS Med Chem Lett 3: 159-164 (2012)


Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M
More data for this
Ligand-Target Pair
Kallikrein-6


(Homo sapiens (Human))
BDBM13279
PNG
(4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...


ACS Med Chem Lett 3: 159-164 (2012)


Article DOI: 10.1021/ml200291e
BindingDB Entry DOI: 10.7270/Q2FN177M
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50363300
PNG
(CHEMBL1944897)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccn1
Show InChI InChI=1S/C24H23N3O2/c25-17-18-4-3-5-20(16-18)19-11-14-27(15-12-19)24(28)23-10-9-22(29-23)8-7-21-6-1-2-13-26-21/h1-6,9-10,13,16,19H,11-12,14-15,17,25H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of chymase


Bioorg Med Chem Lett 22: 1049-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.119
BindingDB Entry DOI: 10.7270/Q2TQ620D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50363300
PNG
(CHEMBL1944897)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccn1
Show InChI InChI=1S/C24H23N3O2/c25-17-18-4-3-5-20(16-18)19-11-14-27(15-12-19)24(28)23-10-9-22(29-23)8-7-21-6-1-2-13-26-21/h1-6,9-10,13,16,19H,11-12,14-15,17,25H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 22: 1049-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.119
BindingDB Entry DOI: 10.7270/Q2TQ620D
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50363299
PNG
(CHEMBL1944727)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccc1F
Show InChI InChI=1S/C25H23FN2O2/c26-23-7-2-1-5-20(23)8-9-22-10-11-24(30-22)25(29)28-14-12-19(13-15-28)21-6-3-4-18(16-21)17-27/h1-7,10-11,16,19H,12-15,17,27H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of chymase


Bioorg Med Chem Lett 22: 1049-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.119
BindingDB Entry DOI: 10.7270/Q2TQ620D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50363299
PNG
(CHEMBL1944727)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccc1F
Show InChI InChI=1S/C25H23FN2O2/c26-23-7-2-1-5-20(23)8-9-22-10-11-24(30-22)25(29)28-14-12-19(13-15-28)21-6-3-4-18(16-21)17-27/h1-7,10-11,16,19H,12-15,17,27H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 22: 1049-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.119
BindingDB Entry DOI: 10.7270/Q2TQ620D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50363299
PNG
(CHEMBL1944727)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccc1F
Show InChI InChI=1S/C25H23FN2O2/c26-23-7-2-1-5-20(23)8-9-22-10-11-24(30-22)25(29)28-14-12-19(13-15-28)21-6-3-4-18(16-21)17-27/h1-7,10-11,16,19H,12-15,17,27H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor 10a


Bioorg Med Chem Lett 22: 1049-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.119
BindingDB Entry DOI: 10.7270/Q2TQ620D
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50363298
PNG
(CHEMBL1944726)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccc1
Show InChI InChI=1S/C25H24N2O2/c26-18-20-7-4-8-22(17-20)21-13-15-27(16-14-21)25(28)24-12-11-23(29-24)10-9-19-5-2-1-3-6-19/h1-8,11-12,17,21H,13-16,18,26H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of chymase


Bioorg Med Chem Lett 22: 1049-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.119
BindingDB Entry DOI: 10.7270/Q2TQ620D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50363298
PNG
(CHEMBL1944726)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccc1
Show InChI InChI=1S/C25H24N2O2/c26-18-20-7-4-8-22(17-20)21-13-15-27(16-14-21)25(28)24-12-11-23(29-24)10-9-19-5-2-1-3-6-19/h1-8,11-12,17,21H,13-16,18,26H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor 10a


Bioorg Med Chem Lett 22: 1049-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.119
BindingDB Entry DOI: 10.7270/Q2TQ620D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50363298
PNG
(CHEMBL1944726)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccc1
Show InChI InChI=1S/C25H24N2O2/c26-18-20-7-4-8-22(17-20)21-13-15-27(16-14-21)25(28)24-12-11-23(29-24)10-9-19-5-2-1-3-6-19/h1-8,11-12,17,21H,13-16,18,26H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanofi Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 22: 1049-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.119
BindingDB Entry DOI: 10.7270/Q2TQ620D
More data for this
Ligand-Target Pair