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Compile Data Set for Download or QSAR

Found 1363 hits of ic50 for UniProtKB: A0A024R4G4   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kallikrein-5


(Homo sapiens (Human))
BDBM50525914
PNG
(CHEMBL4558285)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m1./s1
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n/an/a>0.316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525895
PNG
(CHEMBL4447752)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(cc2B(O)O1)C(F)(F)F
Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H
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n/an/a 0.501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525899
PNG
(CHEMBL4465265)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m0./s1
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n/an/a>0.794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525904
PNG
(CHEMBL4461533)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2cc(Cl)c(F)cc2B(O)O1
Show InChI InChI=1S/C21H18BClFN3O3.ClH/c23-17-6-14-8-19(30-22(28)16(14)9-18(17)24)13-3-4-15(21(25)26)20(7-13)29-11-12-2-1-5-27-10-12;/h1-7,9-10,19,28H,8,11H2,(H3,25,26);1H
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525912
PNG
(CHEMBL4543039)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(F)ccc23)cc1OCc1cccnc1
Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-15-4-6-16-18(10-15)22(27)29-20(16)9-13-3-5-17(21(24)25)19(8-13)28-12-14-2-1-7-26-11-14;/h1-8,10-11,20,27H,9,12H2,(H3,24,25);1H
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n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525918
PNG
(CHEMBL4473069)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(ccc23)C(F)(F)F)cc1OCc1cccnc1
Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)15-4-6-16-18(10-15)23(30)32-20(16)9-13-3-5-17(21(27)28)19(8-13)31-12-14-2-1-7-29-11-14;/h1-8,10-11,20,30H,9,12H2,(H3,27,28);1H
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525895
PNG
(CHEMBL4447752)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(cc2B(O)O1)C(F)(F)F
Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525917
PNG
(CHEMBL4579813)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1
Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525914
PNG
(CHEMBL4558285)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m1./s1
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525899
PNG
(CHEMBL4465265)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m0./s1
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525905
PNG
(CHEMBL4517343)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccc(Cl)c1)C1Cc2ccccc2B(O)O1
Show InChI InChI=1S/C22H20BClN2O3.ClH/c24-17-6-3-4-14(10-17)13-28-21-12-16(8-9-18(21)22(25)26)20-11-15-5-1-2-7-19(15)23(27)29-20;/h1-10,12,20,27H,11,13H2,(H3,25,26);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525912
PNG
(CHEMBL4543039)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(F)ccc23)cc1OCc1cccnc1
Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-15-4-6-16-18(10-15)22(27)29-20(16)9-13-3-5-17(21(24)25)19(8-13)28-12-14-2-1-7-26-11-14;/h1-8,10-11,20,27H,9,12H2,(H3,24,25);1H
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525917
PNG
(CHEMBL4579813)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1
Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525903
PNG
(CHEMBL4436048)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3ccccc23)cc1OCc1cccnc1
Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-14(10-19(17)27-13-15-4-3-9-25-12-15)11-20-16-5-1-2-6-18(16)22(26)28-20;/h1-10,12,20,26H,11,13H2,(H3,23,24);1H
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525911
PNG
(CHEMBL4535907)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1ccccc1Cl)C1Cc2ccccc2B(O)O1
Show InChI InChI=1S/C22H20BClN2O3.ClH/c24-19-8-4-2-6-16(19)13-28-21-12-15(9-10-17(21)22(25)26)20-11-14-5-1-3-7-18(14)23(27)29-20;/h1-10,12,20,27H,11,13H2,(H3,25,26);1H
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525905
PNG
(CHEMBL4517343)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccc(Cl)c1)C1Cc2ccccc2B(O)O1
Show InChI InChI=1S/C22H20BClN2O3.ClH/c24-17-6-3-4-14(10-17)13-28-21-12-16(8-9-18(21)22(25)26)20-11-15-5-1-2-7-19(15)23(27)29-20;/h1-10,12,20,27H,11,13H2,(H3,25,26);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525913
PNG
(CHEMBL4464120)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(F)cc2B(O)O1
Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-16-5-3-14-8-19(29-22(27)18(14)10-16)15-4-6-17(21(24)25)20(9-15)28-12-13-2-1-7-26-11-13;/h1-7,9-11,19,27H,8,12H2,(H3,24,25);1H
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525897
PNG
(CHEMBL4536142)
Show SMILES Cl.Cc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1
Show InChI InChI=1S/C22H22BN3O3.ClH/c1-14-4-7-19-18(9-14)21(29-23(19)27)11-15-5-6-17(22(24)25)20(10-15)28-13-16-3-2-8-26-12-16;/h2-10,12,21,27H,11,13H2,1H3,(H3,24,25);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525904
PNG
(CHEMBL4461533)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2cc(Cl)c(F)cc2B(O)O1
Show InChI InChI=1S/C21H18BClFN3O3.ClH/c23-17-6-14-8-19(30-22(28)16(14)9-18(17)24)13-3-4-15(21(25)26)20(7-13)29-11-12-2-1-5-27-10-12;/h1-7,9-10,19,28H,8,11H2,(H3,25,26);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525911
PNG
(CHEMBL4535907)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1ccccc1Cl)C1Cc2ccccc2B(O)O1
Show InChI InChI=1S/C22H20BClN2O3.ClH/c24-19-8-4-2-6-16(19)13-28-21-12-15(9-10-17(21)22(25)26)20-11-14-5-1-3-7-18(14)23(27)29-20;/h1-10,12,20,27H,11,13H2,(H3,25,26);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522475
PNG
(CHEMBL4535831)
Show SMILES NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1ccccc1
Show InChI InChI=1S/C24H23N5O/c25-24(26)20-12-11-19(13-22(20)30-16-17-7-3-1-4-8-17)27-15-23-28-14-21(29-23)18-9-5-2-6-10-18/h1-14,27H,15-16H2,(H3,25,26)(H,28,29)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525901
PNG
(CHEMBL4448315)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3ccc(F)cc23)cc1OCc1cccnc1
Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-15-4-6-18-17(10-15)20(29-22(18)27)9-13-3-5-16(21(24)25)19(8-13)28-12-14-2-1-7-26-11-14;/h1-8,10-11,20,27H,9,12H2,(H3,24,25);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525913
PNG
(CHEMBL4464120)
Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(F)cc2B(O)O1
Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-16-5-3-14-8-19(29-22(27)18(14)10-16)15-4-6-17(21(24)25)20(9-15)28-12-13-2-1-7-26-11-13;/h1-7,9-11,19,27H,8,12H2,(H3,24,25);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525918
PNG
(CHEMBL4473069)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(ccc23)C(F)(F)F)cc1OCc1cccnc1
Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)15-4-6-16-18(10-15)23(30)32-20(16)9-13-3-5-17(21(27)28)19(8-13)31-12-14-2-1-7-29-11-14;/h1-8,10-11,20,30H,9,12H2,(H3,27,28);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525901
PNG
(CHEMBL4448315)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3ccc(F)cc23)cc1OCc1cccnc1
Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-15-4-6-18-17(10-15)20(29-22(18)27)9-13-3-5-16(21(24)25)19(8-13)28-12-14-2-1-7-26-11-14;/h1-8,10-11,20,27H,9,12H2,(H3,24,25);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525897
PNG
(CHEMBL4536142)
Show SMILES Cl.Cc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1
Show InChI InChI=1S/C22H22BN3O3.ClH/c1-14-4-7-19-18(9-14)21(29-23(19)27)11-15-5-6-17(22(24)25)20(10-15)28-13-16-3-2-8-26-12-16;/h2-10,12,21,27H,11,13H2,1H3,(H3,24,25);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525903
PNG
(CHEMBL4436048)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3ccccc23)cc1OCc1cccnc1
Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-14(10-19(17)27-13-15-4-3-9-25-12-15)11-20-16-5-1-2-6-18(16)22(26)28-20;/h1-10,12,20,26H,11,13H2,(H3,23,24);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525902
PNG
(CHEMBL4547455)
Show SMILES Cl.COc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1
Show InChI InChI=1S/C22H22BN3O4.ClH/c1-28-16-5-7-19-18(11-16)21(30-23(19)27)10-14-4-6-17(22(24)25)20(9-14)29-13-15-3-2-8-26-12-15;/h2-9,11-12,21,27H,10,13H2,1H3,(H3,24,25);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525900
PNG
(CHEMBL4460168)
Show SMILES Cl.Cc1cccc2CC(OB(O)c12)c1ccc(C(N)=N)c(OCc2cccnc2)c1
Show InChI InChI=1S/C22H22BN3O3.ClH/c1-14-4-2-6-17-11-19(29-23(27)21(14)17)16-7-8-18(22(24)25)20(10-16)28-13-15-5-3-9-26-12-15;/h2-10,12,19,27H,11,13H2,1H3,(H3,24,25);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525900
PNG
(CHEMBL4460168)
Show SMILES Cl.Cc1cccc2CC(OB(O)c12)c1ccc(C(N)=N)c(OCc2cccnc2)c1
Show InChI InChI=1S/C22H22BN3O3.ClH/c1-14-4-2-6-17-11-19(29-23(27)21(14)17)16-7-8-18(22(24)25)20(10-16)28-13-15-5-3-9-26-12-15;/h2-10,12,19,27H,11,13H2,1H3,(H3,24,25);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522496
PNG
(CHEMBL4586700)
Show SMILES NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1ccccc1Cl
Show InChI InChI=1S/C24H22ClN5O/c25-20-9-5-4-8-17(20)15-31-22-12-18(10-11-19(22)24(26)27)28-14-23-29-13-21(30-23)16-6-2-1-3-7-16/h1-13,28H,14-15H2,(H3,26,27)(H,29,30)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522495
PNG
(CHEMBL4435372)
Show SMILES NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCC(=O)NCC1CC1
Show InChI InChI=1S/C23H26N6O2/c24-23(25)18-9-8-17(10-20(18)31-14-22(30)28-11-15-6-7-15)26-13-21-27-12-19(29-21)16-4-2-1-3-5-16/h1-5,8-10,12,15,26H,6-7,11,13-14H2,(H3,24,25)(H,27,29)(H,28,30)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525902
PNG
(CHEMBL4547455)
Show SMILES Cl.COc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1
Show InChI InChI=1S/C22H22BN3O4.ClH/c1-28-16-5-7-19-18(11-16)21(30-23(19)27)10-14-4-6-17(22(24)25)20(9-14)29-13-15-3-2-8-26-12-15;/h2-9,11-12,21,27H,10,13H2,1H3,(H3,24,25);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522494
PNG
(CHEMBL4458360)
Show SMILES NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN5O/c25-18-8-6-16(7-9-18)15-31-22-12-19(10-11-20(22)24(26)27)28-14-23-29-13-21(30-23)17-4-2-1-3-5-17/h1-13,28H,14-15H2,(H3,26,27)(H,29,30)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM32881
PNG
(MLS000706208 | SMR000288260 | [3-(2-furanyl)-5-(me...)
Show SMILES COc1ccccc1C(=O)n1nc(nc1SC)-c1ccco1
Show InChI InChI=1S/C15H13N3O3S/c1-20-11-7-4-3-6-10(11)14(19)18-15(22-2)16-13(17-18)12-8-5-9-21-12/h3-9H,1-2H3
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n/an/a 76n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522493
PNG
(CHEMBL4530083)
Show SMILES NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1cccnc1
Show InChI InChI=1S/C23H22N6O/c24-23(25)19-9-8-18(11-21(19)30-15-16-5-4-10-26-12-16)27-14-22-28-13-20(29-22)17-6-2-1-3-7-17/h1-13,27H,14-15H2,(H3,24,25)(H,28,29)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522488
PNG
(CHEMBL4452547)
Show SMILES NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCC(=O)NC1CC1
Show InChI InChI=1S/C22H24N6O2/c23-22(24)17-9-8-16(10-19(17)30-13-21(29)27-15-6-7-15)25-12-20-26-11-18(28-20)14-4-2-1-3-5-14/h1-5,8-11,15,25H,6-7,12-13H2,(H3,23,24)(H,26,28)(H,27,29)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525920
PNG
(CHEMBL4465992)
Show SMILES Cl.NC(=N)c1ccc(cc1)C1Cc2ccccc2B(O)O1
Show InChI InChI=1S/C15H15BN2O2.ClH/c17-15(18)11-7-5-10(6-8-11)14-9-12-3-1-2-4-13(12)16(19)20-14;/h1-8,14,19H,9H2,(H3,17,18);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522475
PNG
(CHEMBL4535831)
Show SMILES NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1ccccc1
Show InChI InChI=1S/C24H23N5O/c25-24(26)20-12-11-19(13-22(20)30-16-17-7-3-1-4-8-17)27-15-23-28-14-21(29-23)18-9-5-2-6-10-18/h1-14,27H,15-16H2,(H3,25,26)(H,28,29)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522477
PNG
(CHEMBL4576787)
Show SMILES Cl.NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1ncccn1
Show InChI InChI=1S/C22H21N7O/c23-22(24)17-8-7-16(11-19(17)30-14-21-25-9-4-10-26-21)27-13-20-28-12-18(29-20)15-5-2-1-3-6-15/h1-12,27H,13-14H2,(H3,23,24)(H,28,29)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522485
PNG
(CHEMBL4471660)
Show SMILES NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1cccc(Cl)c1
Show InChI InChI=1S/C24H22ClN5O/c25-18-8-4-5-16(11-18)15-31-22-12-19(9-10-20(22)24(26)27)28-14-23-29-13-21(30-23)17-6-2-1-3-7-17/h1-13,28H,14-15H2,(H3,26,27)(H,29,30)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM33906
PNG
(5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitril...)
Show SMILES COc1ccc(cc1)C(=O)n1ncc(C#N)c1N
Show InChI InChI=1S/C12H10N4O2/c1-18-10-4-2-8(3-5-10)12(17)16-11(14)9(6-13)7-15-16/h2-5,7H,14H2,1H3
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n/an/a 84.4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM32765
PNG
(2-(benzotriazole-1-carbonyl)benzoic acid propargyl...)
Show SMILES O=C(OCC#C)c1ccccc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C17H11N3O3/c1-2-11-23-17(22)13-8-4-3-7-12(13)16(21)20-15-10-6-5-9-14(15)18-19-20/h1,3-10H,11H2
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n/an/a 87.1n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522487
PNG
(CHEMBL4593503)
Show SMILES NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1ncco1
Show InChI InChI=1S/C21H20N6O2/c22-21(23)16-7-6-15(10-18(16)29-13-20-24-8-9-28-20)25-12-19-26-11-17(27-19)14-4-2-1-3-5-14/h1-11,25H,12-13H2,(H3,22,23)(H,26,27)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522486
PNG
(CHEMBL4517626)
Show SMILES Cl.NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1ccccn1
Show InChI InChI=1S/C23H22N6O/c24-23(25)19-10-9-17(12-21(19)30-15-18-8-4-5-11-26-18)27-14-22-28-13-20(29-22)16-6-2-1-3-7-16/h1-13,27H,14-15H2,(H3,24,25)(H,28,29)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50459539
PNG
(CHEMBL4206734)
Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1
Show InChI InChI=1S/C25H26N6O3/c1-14-20(19-10-9-17(25(26)27)11-21(19)28-14)12-23(33)34-13-22(32)29-24-15(2)30-31(16(24)3)18-7-5-4-6-8-18/h4-11,28H,12-13H2,1-3H3,(H3,26,27)(H,29,32)
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German Cancer Research Center (DKFZ)

Curated by ChEMBL


Assay Description
Inhibition of KLK5 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured a...


J Med Chem 61: 8859-8874 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01106
BindingDB Entry DOI: 10.7270/Q279479B
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50525909
PNG
(CHEMBL4473412)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3ccccc23)cc1
Show InChI InChI=1S/C15H15BN2O2.ClH/c17-15(18)11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)16(19)20-14;/h1-8,14,19H,9H2,(H3,17,18);1H
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM50522491
PNG
(CHEMBL4441078)
Show SMILES NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCCC1CC1
Show InChI InChI=1S/C22H25N5O/c23-22(24)18-9-8-17(12-20(18)28-11-10-15-6-7-15)25-14-21-26-13-19(27-21)16-4-2-1-3-5-16/h1-5,8-9,12-13,15,25H,6-7,10-11,14H2,(H3,23,24)(H,26,27)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


Bioorg Med Chem Lett 29: 1454-1458 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.022
BindingDB Entry DOI: 10.7270/Q24F1V4V
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM113069
PNG
(US9695194, 5)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC
Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK5 using S-2288 substrate


Bioorg Med Chem Lett 29: 821-825 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.020
BindingDB Entry DOI: 10.7270/Q2S46WGF
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM45679
PNG
(3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3...)
Show SMILES Cc1ccsc1C(=O)Nc1nnc([nH]1)C(F)(F)F
Show InChI InChI=1S/C9H7F3N4OS/c1-4-2-3-18-5(4)6(17)13-8-14-7(15-16-8)9(10,11)12/h2-3H,1H3,(H2,13,14,15,16,17)
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PCBioAssay
n/an/a 229n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
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