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Compile Data Set for Download or QSAR

Found 47 hits from Asubio Pharma Co., Ltd.   
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 7


(Homo sapiens (Human))
BDBM50460879
PNG
(CHEMBL4228441)
Show SMILES CCC[C@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C30H38ClN7O3/c1-6-8-26(29(39)34-25-10-7-9-20(15-25)23-17-33-37(4)18-23)38-19-28(35-36(2)3)32-16-22(30(38)40)13-21-14-24(31)11-12-27(21)41-5/h7,9-12,14-15,17-18,22,26H,6,8,13,16,19H2,1-5H3,(H,32,35)(H,34,39)/t22-,26+/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50275974
PNG
(CHEMBL4126936)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN([C@@H](C)C(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C
Show InChI InChI=1S/C28H34ClN7O3/c1-18(27(37)32-24-8-6-7-19(13-24)22-15-31-35(4)16-22)36-17-26(33-34(2)3)30-14-21(28(36)38)11-20-12-23(29)9-10-25(20)39-5/h6-10,12-13,15-16,18,21H,11,14,17H2,1-5H3,(H,30,33)(H,32,37)/t18-,21+/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460884
PNG
(CHEMBL4228178)
Show SMILES CCCC[C@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C31H40ClN7O3/c1-6-7-11-27(30(40)35-26-10-8-9-21(16-26)24-18-34-38(4)19-24)39-20-29(36-37(2)3)33-17-23(31(39)41)14-22-15-25(32)12-13-28(22)42-5/h8-10,12-13,15-16,18-19,23,27H,6-7,11,14,17,20H2,1-5H3,(H,33,36)(H,35,40)/t23-,27+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460875
PNG
(CHEMBL4227658)
Show SMILES CC[C@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C29H36ClN7O3/c1-6-25(28(38)33-24-9-7-8-19(14-24)22-16-32-36(4)17-22)37-18-27(34-35(2)3)31-15-21(29(37)39)12-20-13-23(30)10-11-26(20)40-5/h7-11,13-14,16-17,21,25H,6,12,15,18H2,1-5H3,(H,31,34)(H,33,38)/t21-,25+/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50275971
PNG
(CHEMBL4130204)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C
Show InChI InChI=1S/C27H32ClN7O3/c1-33(2)32-25-16-35(27(37)20(13-29-25)10-19-11-22(28)8-9-24(19)38-4)17-26(36)31-23-7-5-6-18(12-23)21-14-30-34(3)15-21/h5-9,11-12,14-15,20H,10,13,16-17H2,1-4H3,(H,29,32)(H,31,36)/t20-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460868
PNG
(CHEMBL4227495)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2ccco2)C1=O)=N/N(C)C
Show InChI InChI=1S/C27H30ClN5O4/c1-32(2)31-25-16-33(17-26(34)30-22-7-4-6-18(14-22)24-8-5-11-37-24)27(35)20(15-29-25)12-19-13-21(28)9-10-23(19)36-3/h4-11,13-14,20H,12,15-17H2,1-3H3,(H,29,31)(H,30,34)/t20-/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460881
PNG
(CHEMBL4227724)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2ccoc2)C1=O)=N/N(C)C
Show InChI InChI=1S/C27H30ClN5O4/c1-32(2)31-25-15-33(16-26(34)30-23-6-4-5-18(13-23)19-9-10-37-17-19)27(35)21(14-29-25)11-20-12-22(28)7-8-24(20)36-3/h4-10,12-13,17,21H,11,14-16H2,1-3H3,(H,29,31)(H,30,34)/t21-/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452100
PNG
(CHEMBL4216497)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)S(C)(=O)=O)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H30ClN5O5S/c1-29(2)28-22-14-30(15-23(31)27-19-6-5-7-20(12-19)36(4,33)34)24(32)17(13-26-22)10-16-11-18(25)8-9-21(16)35-3/h5-9,11-12,17H,10,13-15H2,1-4H3,(H,26,28)(H,27,31)/t17-/m1/s1
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n/an/a 820n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kallikrein 7


(Homo sapiens (Human))
BDBM50452100
PNG
(CHEMBL4216497)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)S(C)(=O)=O)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H30ClN5O5S/c1-29(2)28-22-14-30(15-23(31)27-19-6-5-7-20(12-19)36(4,33)34)24(32)17(13-26-22)10-16-11-18(25)8-9-21(16)35-3/h5-9,11-12,17H,10,13-15H2,1-4H3,(H,26,28)(H,27,31)/t17-/m1/s1
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n/an/a 820n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kallikrein 7


(Homo sapiens (Human))
BDBM50460873
PNG
(CHEMBL4227375)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cccs2)C1=O)=N/N(C)C
Show InChI InChI=1S/C27H30ClN5O3S/c1-32(2)31-25-16-33(17-26(34)30-22-7-4-6-18(14-22)24-8-5-11-37-24)27(35)20(15-29-25)12-19-13-21(28)9-10-23(19)36-3/h4-11,13-14,20H,12,15-17H2,1-3H3,(H,29,31)(H,30,34)/t20-/m1/s1
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n/an/a 870n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460874
PNG
(CHEMBL4226810)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN([C@H](C)C(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C
Show InChI InChI=1S/C28H34ClN7O3/c1-18(27(37)32-24-8-6-7-19(13-24)22-15-31-35(4)16-22)36-17-26(33-34(2)3)30-14-21(28(36)38)11-20-12-23(29)9-10-25(20)39-5/h6-10,12-13,15-16,18,21H,11,14,17H2,1-5H3,(H,30,33)(H,32,37)/t18-,21-/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460882
PNG
(CHEMBL4226469)
Show SMILES CNC(=O)c1cccc(NC(=O)CN2C\C(NC[C@@H](Cc3cc(Cl)ccc3OC)C2=O)=N\N(C)C)c1
Show InChI InChI=1S/C25H31ClN6O4/c1-27-24(34)16-6-5-7-20(12-16)29-23(33)15-32-14-22(30-31(2)3)28-13-18(25(32)35)10-17-11-19(26)8-9-21(17)36-4/h5-9,11-12,18H,10,13-15H2,1-4H3,(H,27,34)(H,28,30)(H,29,33)/t18-/m1/s1
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n/an/a 940n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460869
PNG
(CHEMBL4225621)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)S(=O)(=O)N(C)C)C1=O)=N/N(C)C
Show InChI InChI=1S/C25H33ClN6O5S/c1-30(2)29-23-15-32(16-24(33)28-20-7-6-8-21(13-20)38(35,36)31(3)4)25(34)18(14-27-23)11-17-12-19(26)9-10-22(17)37-5/h6-10,12-13,18H,11,14-16H2,1-5H3,(H,27,29)(H,28,33)/t18-/m1/s1
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n/an/a 990n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460872
PNG
(CHEMBL4227530)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2ccsc2)C1=O)=N/N(C)C
Show InChI InChI=1S/C27H30ClN5O3S/c1-32(2)31-25-15-33(16-26(34)30-23-6-4-5-18(13-23)19-9-10-37-17-19)27(35)21(14-29-25)11-20-12-22(28)7-8-24(20)36-3/h4-10,12-13,17,21H,11,14-16H2,1-3H3,(H,29,31)(H,30,34)/t21-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50275926
PNG
(CHEMBL4128173)
Show SMILES Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H28ClN5O5.ClH/c1-29(2)28-21-13-30(14-22(31)27-19-6-4-5-15(11-19)24(33)34)23(32)17(12-26-21)9-16-10-18(25)7-8-20(16)35-3;/h4-8,10-11,17H,9,12-14H2,1-3H3,(H,26,28)(H,27,31)(H,33,34);1H/t17-;/m1./s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50275926
PNG
(CHEMBL4128173)
Show SMILES Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H28ClN5O5.ClH/c1-29(2)28-21-13-30(14-22(31)27-19-6-4-5-15(11-19)24(33)34)23(32)17(12-26-21)9-16-10-18(25)7-8-20(16)35-3;/h4-8,10-11,17H,9,12-14H2,1-3H3,(H,26,28)(H,27,31)(H,33,34);1H/t17-;/m1./s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460877
PNG
(CHEMBL4225953)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(=O)N(C)C)C1=O)=N/N(C)C
Show InChI InChI=1S/C26H33ClN6O4/c1-31(2)25(35)17-7-6-8-21(13-17)29-24(34)16-33-15-23(30-32(3)4)28-14-19(26(33)36)11-18-12-20(27)9-10-22(18)37-5/h6-10,12-13,19H,11,14-16H2,1-5H3,(H,28,30)(H,29,34)/t19-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460871
PNG
(CHEMBL4226154)
Show SMILES COc1cccc(NC(=O)CN2C\C(NC[C@@H](Cc3cc(Cl)ccc3OC)C2=O)=N\N(C)C)c1
Show InChI InChI=1S/C24H30ClN5O4/c1-29(2)28-22-14-30(15-23(31)27-19-6-5-7-20(12-19)33-3)24(32)17(13-26-22)10-16-11-18(25)8-9-21(16)34-4/h5-9,11-12,17H,10,13-15H2,1-4H3,(H,26,28)(H,27,31)/t17-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460878
PNG
(CHEMBL4227602)
Show SMILES CC[C@@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C29H36ClN7O3/c1-6-25(28(38)33-24-9-7-8-19(14-24)22-16-32-36(4)17-22)37-18-27(34-35(2)3)31-15-21(29(37)39)12-20-13-23(30)10-11-26(20)40-5/h7-11,13-14,16-17,21,25H,6,12,15,18H2,1-5H3,(H,31,34)(H,33,38)/t21-,25-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460870
PNG
(CHEMBL4226209)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)S(=O)(=O)C(F)(F)F)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H27ClF3N5O5S/c1-32(2)31-21-13-33(23(35)16(12-29-21)9-15-10-17(25)7-8-20(15)38-3)14-22(34)30-18-5-4-6-19(11-18)39(36,37)24(26,27)28/h4-8,10-11,16H,9,12-14H2,1-3H3,(H,29,31)(H,30,34)/t16-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460876
PNG
(CHEMBL4227614)
Show SMILES CCCC[C@@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C31H40ClN7O3/c1-6-7-11-27(30(40)35-26-10-8-9-21(16-26)24-18-34-38(4)19-24)39-20-29(36-37(2)3)33-17-23(31(39)41)14-22-15-25(32)12-13-28(22)42-5/h8-10,12-13,15-16,18-19,23,27H,6-7,11,14,17,20H2,1-5H3,(H,33,36)(H,35,40)/t23-,27-/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460883
PNG
(CHEMBL4225370)
Show SMILES Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(F)(F)F)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H27ClF3N5O3.ClH/c1-32(2)31-21-13-33(14-22(34)30-19-6-4-5-17(11-19)24(26,27)28)23(35)16(12-29-21)9-15-10-18(25)7-8-20(15)36-3;/h4-8,10-11,16H,9,12-14H2,1-3H3,(H,29,31)(H,30,34);1H/t16-;/m1./s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452104
PNG
(CHEMBL4204481)
Show SMILES Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2ccccc2)C1=O)=N/N(C)C
Show InChI InChI=1S/C23H28ClN5O3.ClH/c1-28(2)27-21-14-29(15-22(30)26-19-7-5-4-6-8-19)23(31)17(13-25-21)11-16-12-18(24)9-10-20(16)32-3;/h4-10,12,17H,11,13-15H2,1-3H3,(H,25,27)(H,26,30);1H/t17-;/m1./s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460867
PNG
(CHEMBL4226999)
Show SMILES Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C#N)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H27ClN6O3.ClH/c1-30(2)29-22-14-31(15-23(32)28-20-6-4-5-16(9-20)12-26)24(33)18(13-27-22)10-17-11-19(25)7-8-21(17)34-3;/h4-9,11,18H,10,13-15H2,1-3H3,(H,27,29)(H,28,32);1H/t18-;/m1./s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452102
PNG
(CHEMBL4209814)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)=N/Oc1c(F)cccc1F
Show InChI InChI=1S/C28H25ClF2N4O6/c1-40-23-9-8-19(29)11-17(23)10-18-13-32-24(34-41-26-21(30)6-3-7-22(26)31)14-35(27(18)37)15-25(36)33-20-5-2-4-16(12-20)28(38)39/h2-9,11-12,18H,10,13-15H2,1H3,(H,32,34)(H,33,36)(H,38,39)/t18-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452105
PNG
(CHEMBL4202653)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2ccc(O)c(c2)C(O)=O)C1=O)=N/Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C28H25ClF2N4O7/c1-41-24-5-2-17(29)7-15(24)6-16-12-32-25(34-42-21-9-18(30)8-19(31)10-21)13-35(27(16)38)14-26(37)33-20-3-4-23(36)22(11-20)28(39)40/h2-5,7-11,16,36H,6,12-14H2,1H3,(H,32,34)(H,33,37)(H,39,40)/t16-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50460880
PNG
(CHEMBL4227339)
Show SMILES CCC[C@@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C30H38ClN7O3/c1-6-8-26(29(39)34-25-10-7-9-20(15-25)23-17-33-37(4)18-23)38-19-28(35-36(2)3)32-16-22(30(38)40)13-21-14-24(31)11-12-27(21)41-5/h7,9-12,14-15,17-18,22,26H,6,8,13,16,19H2,1-5H3,(H,32,35)(H,34,39)/t22-,26-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452098
PNG
(CHEMBL4211359)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccnc2)C1=O)=N/N(C)C
Show InChI InChI=1S/C22H27ClN6O3/c1-28(2)27-20-13-29(14-21(30)26-18-5-4-8-24-12-18)22(31)16(11-25-20)9-15-10-17(23)6-7-19(15)32-3/h4-8,10,12,16H,9,11,13-14H2,1-3H3,(H,25,27)(H,26,30)/t16-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452096
PNG
(CHEMBL4215264)
Show SMILES CCO\N=C1\CN(CC(=O)Nc2cccc(c2)C(O)=O)C(=O)[C@H](Cc2cc(Cl)ccc2OC)CN1
Show InChI InChI=1S/C24H27ClN4O6/c1-3-35-28-21-13-29(14-22(30)27-19-6-4-5-15(11-19)24(32)33)23(31)17(12-26-21)9-16-10-18(25)7-8-20(16)34-2/h4-8,10-11,17H,3,9,12-14H2,1-2H3,(H,26,28)(H,27,30)(H,32,33)/t17-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452095
PNG
(CHEMBL4207947)
Show SMILES CO\N=C1\CN(CC(=O)Nc2cccc(c2)C(O)=O)C(=O)[C@H](Cc2cc(Cl)ccc2OC)CN1
Show InChI InChI=1S/C23H25ClN4O6/c1-33-19-7-6-17(24)9-15(19)8-16-11-25-20(27-34-2)12-28(22(16)30)13-21(29)26-18-5-3-4-14(10-18)23(31)32/h3-7,9-10,16H,8,11-13H2,1-2H3,(H,25,27)(H,26,29)(H,31,32)/t16-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452099
PNG
(CHEMBL4210013)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2ccccn2)C1=O)=N/N(C)C
Show InChI InChI=1S/C22H27ClN6O3/c1-28(2)27-20-13-29(14-21(30)26-19-6-4-5-9-24-19)22(31)16(12-25-20)10-15-11-17(23)7-8-18(15)32-3/h4-9,11,16H,10,12-14H2,1-3H3,(H,25,27)(H,24,26,30)/t16-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452093
PNG
(CHEMBL4212288)
Show SMILES COc1ccc(Cl)cc1C[C@H]1CN\C(CN(CC(=O)Nc2ccc(O)c(c2)C(O)=O)C1=O)=N/Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C28H25ClF2N4O7/c1-41-24-5-2-17(29)7-15(24)6-16-12-32-25(34-42-21-9-18(30)8-19(31)10-21)13-35(27(16)38)14-26(37)33-20-3-4-23(36)22(11-20)28(39)40/h2-5,7-11,16,36H,6,12-14H2,1H3,(H,32,34)(H,33,37)(H,39,40)/t16-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50460879
PNG
(CHEMBL4228441)
Show SMILES CCC[C@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C30H38ClN7O3/c1-6-8-26(29(39)34-25-10-7-9-20(15-25)23-17-33-37(4)18-23)38-19-28(35-36(2)3)32-16-22(30(38)40)13-21-14-24(31)11-12-27(21)41-5/h7,9-12,14-15,17-18,22,26H,6,8,13,16,19H2,1-5H3,(H,32,35)(H,34,39)/t22-,26+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452097
PNG
(CHEMBL4205302)
Show SMILES Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2ccccc2C(O)=O)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H28ClN5O5.ClH/c1-29(2)28-21-13-30(14-22(31)27-19-7-5-4-6-18(19)24(33)34)23(32)16(12-26-21)10-15-11-17(25)8-9-20(15)35-3;/h4-9,11,16H,10,12-14H2,1-3H3,(H,26,28)(H,27,31)(H,33,34);1H/t16-;/m1./s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM50275974
PNG
(CHEMBL4126936)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN([C@@H](C)C(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C
Show InChI InChI=1S/C28H34ClN7O3/c1-18(27(37)32-24-8-6-7-19(13-24)22-15-31-35(4)16-22)36-17-26(33-34(2)3)30-14-21(28(36)38)11-20-12-23(29)9-10-25(20)39-5/h6-10,12-13,15-16,18,21H,11,14,17H2,1-5H3,(H,30,33)(H,32,37)/t18-,21+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK5 using Boc-Val-Pro-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition measured after 30...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM50275971
PNG
(CHEMBL4130204)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C
Show InChI InChI=1S/C27H32ClN7O3/c1-33(2)32-25-16-35(27(37)20(13-29-25)10-19-11-22(28)8-9-24(19)38-4)17-26(36)31-23-7-5-6-18(12-23)21-14-30-34(3)15-21/h5-9,11-12,14-15,20H,10,13,16-17H2,1-4H3,(H,29,32)(H,31,36)/t20-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK5 using Boc-Val-Pro-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition measured after 30...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM50452100
PNG
(CHEMBL4216497)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)S(C)(=O)=O)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H30ClN5O5S/c1-29(2)28-22-14-30(15-23(31)27-19-6-5-7-20(12-19)36(4,33)34)24(32)17(13-26-22)10-16-11-18(25)8-9-21(16)35-3/h5-9,11-12,17H,10,13-15H2,1-4H3,(H,26,28)(H,27,31)/t17-/m1/s1
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Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 10-His tagged KLK5 preincubated for 10 mins followed by Boc-Val-Pro-Arg-MCA peptide substrate addition mea...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50275926
PNG
(CHEMBL4128173)
Show SMILES Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H28ClN5O5.ClH/c1-29(2)28-21-13-30(14-22(31)27-19-6-4-5-15(11-19)24(33)34)23(32)17(12-26-21)9-16-10-18(25)7-8-20(16)35-3;/h4-8,10-11,17H,9,12-14H2,1-3H3,(H,26,28)(H,27,31)(H,33,34);1H/t17-;/m1./s1
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Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human trypsin preincubated for 10 mins followed by Boc-Gln-Ala-Arg-MCA peptide substrate addition measured after 30 mins by fluorescenc...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452101
PNG
(CHEMBL4209423)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)=N/OCC(C)C
Show InChI InChI=1S/C26H31ClN4O6/c1-16(2)15-37-30-23-13-31(14-24(32)29-21-6-4-5-17(11-21)26(34)35)25(33)19(12-28-23)9-18-10-20(27)7-8-22(18)36-3/h4-8,10-11,16,19H,9,12-15H2,1-3H3,(H,28,30)(H,29,32)(H,34,35)/t19-/m1/s1
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Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM50275926
PNG
(CHEMBL4128173)
Show SMILES Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H28ClN5O5.ClH/c1-29(2)28-21-13-30(14-22(31)27-19-6-4-5-15(11-19)24(33)34)23(32)17(12-26-21)9-16-10-18(25)7-8-20(16)35-3;/h4-8,10-11,17H,9,12-14H2,1-3H3,(H,26,28)(H,27,31)(H,33,34);1H/t17-;/m1./s1
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Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 10-His tagged KLK5 preincubated for 10 mins followed by Boc-Val-Pro-Arg-MCA peptide substrate addition mea...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50275974
PNG
(CHEMBL4126936)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN([C@@H](C)C(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C
Show InChI InChI=1S/C28H34ClN7O3/c1-18(27(37)32-24-8-6-7-19(13-24)22-15-31-35(4)16-22)36-17-26(33-34(2)3)30-14-21(28(36)38)11-20-12-23(29)9-10-25(20)39-5/h6-10,12-13,15-16,18,21H,11,14,17H2,1-5H3,(H,30,33)(H,32,37)/t18-,21+/m0/s1
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Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452103
PNG
(CHEMBL4215794)
Show SMILES Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H28ClN5O5.ClH/c1-29(2)28-21-13-30(14-22(31)27-19-7-4-15(5-8-19)24(33)34)23(32)17(12-26-21)10-16-11-18(25)6-9-20(16)35-3;/h4-9,11,17H,10,12-14H2,1-3H3,(H,26,28)(H,27,31)(H,33,34);1H/t17-;/m1./s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50275971
PNG
(CHEMBL4130204)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C
Show InChI InChI=1S/C27H32ClN7O3/c1-33(2)32-25-16-35(27(37)20(13-29-25)10-19-11-22(28)8-9-24(19)38-4)17-26(36)31-23-7-5-6-18(12-23)21-14-30-34(3)15-21/h5-9,11-12,14-15,20H,10,13,16-17H2,1-4H3,(H,29,32)(H,31,36)/t20-/m1/s1
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Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human trypsin using Boc-Gln-Ala-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by ...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50452100
PNG
(CHEMBL4216497)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)S(C)(=O)=O)C1=O)=N/N(C)C
Show InChI InChI=1S/C24H30ClN5O5S/c1-29(2)28-22-14-30(15-23(31)27-19-6-5-7-20(12-19)36(4,33)34)24(32)17(13-26-22)10-16-11-18(25)8-9-21(16)35-3/h5-9,11-12,17H,10,13-15H2,1-4H3,(H,26,28)(H,27,31)/t17-/m1/s1
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Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human trypsin preincubated for 10 mins followed by Boc-Gln-Ala-Arg-MCA peptide substrate addition measured after 30 mins by fluorescenc...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM50460879
PNG
(CHEMBL4228441)
Show SMILES CCC[C@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C30H38ClN7O3/c1-6-8-26(29(39)34-25-10-7-9-20(15-25)23-17-33-37(4)18-23)38-19-28(35-36(2)3)32-16-22(30(38)40)13-21-14-24(31)11-12-27(21)41-5/h7,9-12,14-15,17-18,22,26H,6,8,13,16,19H2,1-5H3,(H,32,35)(H,34,39)/t22-,26+/m1/s1
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Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK5 using Boc-Val-Pro-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition measured after 30...


Bioorg Med Chem Lett 28: 1371-1375 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452094
PNG
(CHEMBL4209977)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CNC(=O)CN(CC(=O)Nc2ccc(O)c(c2)C(O)=O)C1=O
Show InChI InChI=1S/C22H22ClN3O7/c1-33-18-5-2-14(23)7-12(18)6-13-9-24-19(28)10-26(21(13)30)11-20(29)25-15-3-4-17(27)16(8-15)22(31)32/h2-5,7-8,13,27H,6,9-11H2,1H3,(H,24,28)(H,25,29)(H,31,32)/t13-/m1/s1
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Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50452092
PNG
(CHEMBL4203067)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)=N/O
Show InChI InChI=1S/C22H23ClN4O6/c1-33-18-6-5-16(23)8-14(18)7-15-10-24-19(26-32)11-27(21(15)29)12-20(28)25-17-4-2-3-13(9-17)22(30)31/h2-6,8-9,15,32H,7,10-12H2,1H3,(H,24,26)(H,25,28)(H,30,31)/t15-/m1/s1
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Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Gl...


Bioorg Med Chem Lett 27: 5272-5276 (2017)

More data for this
Ligand-Target Pair