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Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'barros' and Initial = 'tg'   
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-5 [D153N]


(Homo sapiens (Human))
BDBM50446220
PNG
(CHEMBL3109164)
Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H29NO7/c28-25(20-12-7-13-27(20)26(29)33-15-19-10-5-2-6-11-19)34-22-17-32-23-21(16-31-24(22)23)30-14-18-8-3-1-4-9-18/h1-6,8-11,20-24H,7,12-17H2/t20-,21-,22-,23-,24-/m1/s1
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300n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446221
PNG
(CHEMBL3109163)
Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C35H38N2O8/c38-33(28-17-10-18-37(28)35(40)44-21-26-15-8-3-9-16-26)36-27(19-24-11-4-1-5-12-24)34(39)45-30-23-43-31-29(22-42-32(30)31)41-20-25-13-6-2-7-14-25/h1-9,11-16,27-32H,10,17-23H2,(H,36,38)/t27-,28-,29+,30+,31+,32+/m0/s1
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400n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446218
PNG
(CHEMBL3109166)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H35NO9/c1-29(2,3)39-28(33)30-21(14-24(31)35-16-20-12-8-5-9-13-20)27(32)38-23-18-37-25-22(17-36-26(23)25)34-15-19-10-6-4-7-11-19/h4-13,21-23,25-26H,14-18H2,1-3H3,(H,30,33)/t21-,22+,23+,25+,26+/m0/s1
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600n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446219
PNG
(CHEMBL3109165)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H42N2O9/c1-32(2,3)43-31(37)34-24(16-10-11-17-33-30(36)41-19-23-14-8-5-9-15-23)29(35)42-26-21-40-27-25(20-39-28(26)27)38-18-22-12-6-4-7-13-22/h4-9,12-15,24-28H,10-11,16-21H2,1-3H3,(H,33,36)(H,34,37)/t24-,25+,26+,27+,28+/m0/s1
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700n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446218
PNG
(CHEMBL3109166)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H35NO9/c1-29(2,3)39-28(33)30-21(14-24(31)35-16-20-12-8-5-9-13-20)27(32)38-23-18-37-25-22(17-36-26(23)25)34-15-19-10-6-4-7-11-19/h4-13,21-23,25-26H,14-18H2,1-3H3,(H,30,33)/t21-,22+,23+,25+,26+/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446219
PNG
(CHEMBL3109165)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H42N2O9/c1-32(2,3)43-31(37)34-24(16-10-11-17-33-30(36)41-19-23-14-8-5-9-15-23)29(35)42-26-21-40-27-25(20-39-28(26)27)38-18-22-12-6-4-7-13-22/h4-9,12-15,24-28H,10-11,16-21H2,1-3H3,(H,33,36)(H,34,37)/t24-,25+,26+,27+,28+/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446228
PNG
(CHEMBL3109061)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]-[#6@H]-1-2)-[#8]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H49N5O10/c1-40(2,3)55-39(49)43-30(35(46)42-31-25-51-34-32(26-52-33(31)34)50-22-27-14-7-4-8-15-27)20-13-21-41-36(44-37(47)53-23-28-16-9-5-10-17-28)45-38(48)54-24-29-18-11-6-12-19-29/h4-12,14-19,30-34H,13,20-26H2,1-3H3,(H,42,46)(H,43,49)(H2,41,44,45,47,48)/t30-,31+,32-,33-,34-/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446227
PNG
(CHEMBL3109056)
Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23+,24+,25+/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50391075
PNG
(CHEMBL2087343)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446220
PNG
(CHEMBL3109164)
Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H29NO7/c28-25(20-12-7-13-27(20)26(29)33-15-19-10-5-2-6-11-19)34-22-17-32-23-21(16-31-24(22)23)30-14-18-8-3-1-4-9-18/h1-6,8-11,20-24H,7,12-17H2/t20-,21-,22-,23-,24-/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446224
PNG
(CHEMBL3109160)
Show SMILES CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C28H35NO8/c1-28(2,3)37-27(31)29-21(16-32-14-19-10-6-4-7-11-19)26(30)36-23-18-35-24-22(17-34-25(23)24)33-15-20-12-8-5-9-13-20/h4-13,21-25H,14-18H2,1-3H3,(H,29,31)/t21-,22-,23-,24-,25-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446211
PNG
(CHEMBL3109058)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H43N3O8/c1-32(2,3)43-31(38)35-24(16-10-11-17-33-30(37)42-19-23-14-8-5-9-15-23)29(36)34-25-20-40-28-26(21-41-27(25)28)39-18-22-12-6-4-7-13-22/h4-9,12-15,24-28H,10-11,16-21H2,1-3H3,(H,33,37)(H,34,36)(H,35,38)/t24-,25-,26+,27+,28+/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446228
PNG
(CHEMBL3109061)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]-[#6@H]-1-2)-[#8]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H49N5O10/c1-40(2,3)55-39(49)43-30(35(46)42-31-25-51-34-32(26-52-33(31)34)50-22-27-14-7-4-8-15-27)20-13-21-41-36(44-37(47)53-23-28-16-9-5-10-17-28)45-38(48)54-24-29-18-11-6-12-19-29/h4-12,14-19,30-34H,13,20-26H2,1-3H3,(H,42,46)(H,43,49)(H2,41,44,45,47,48)/t30-,31+,32-,33-,34-/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446224
PNG
(CHEMBL3109160)
Show SMILES CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C28H35NO8/c1-28(2,3)37-27(31)29-21(16-32-14-19-10-6-4-7-11-19)26(30)36-23-18-35-24-22(17-34-25(23)24)33-15-20-12-8-5-9-13-20/h4-13,21-25H,14-18H2,1-3H3,(H,29,31)/t21-,22-,23-,24-,25-/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446221
PNG
(CHEMBL3109163)
Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C35H38N2O8/c38-33(28-17-10-18-37(28)35(40)44-21-26-15-8-3-9-16-26)36-27(19-24-11-4-1-5-12-24)34(39)45-30-23-43-31-29(22-42-32(30)31)41-20-25-13-6-2-7-14-25/h1-9,11-16,27-32H,10,17-23H2,(H,36,38)/t27-,28-,29+,30+,31+,32+/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446211
PNG
(CHEMBL3109058)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H43N3O8/c1-32(2,3)43-31(38)35-24(16-10-11-17-33-30(37)42-19-23-14-8-5-9-15-23)29(36)34-25-20-40-28-26(21-41-27(25)28)39-18-22-12-6-4-7-13-22/h4-9,12-15,24-28H,10-11,16-21H2,1-3H3,(H,33,37)(H,34,36)(H,35,38)/t24-,25-,26+,27+,28+/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50391078
PNG
(CHEMBL2087346)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r|
Show InChI InChI=1S/C27H26N2O6/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-32-20)27(31)29-22-16-34-25-23(17-35-24(22)25)33-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50205620
PNG
(CHEMBL3943212)
Show SMILES [H][C@]12OC[C@H](N(C(=O)Cc3ccc(O)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40N2O6/c1-31(2,30(36)32-23-11-7-4-8-12-23)33(27(35)17-21-13-15-24(34)16-14-21)25-19-38-29-26(20-39-28(25)29)37-18-22-9-5-3-6-10-22/h3,5-6,9-10,13-16,23,25-26,28-29,34H,4,7-8,11-12,17-20H2,1-2H3,(H,32,36)/t25-,26+,28+,29+/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KLK1 expressed in baculovirus/insect cell expression system using Abz-KLRSSKQ-EDDnp peptide as substrate ...


Bioorg Med Chem Lett 27: 314-318 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.051
BindingDB Entry DOI: 10.7270/Q2WW7KNV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446229
PNG
(CHEMBL3109060)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C35H41N3O7/c1-23(2)30(38-35(41)45-20-26-16-10-5-11-17-26)34(40)36-27(18-24-12-6-3-7-13-24)33(39)37-28-21-43-32-29(22-44-31(28)32)42-19-25-14-8-4-9-15-25/h3-17,23,27-32H,18-22H2,1-2H3,(H,36,40)(H,37,39)(H,38,41)/t27-,28+,29-,30+,31-,32-/m1/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446229
PNG
(CHEMBL3109060)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C35H41N3O7/c1-23(2)30(38-35(41)45-20-26-16-10-5-11-17-26)34(40)36-27(18-24-12-6-3-7-13-24)33(39)37-28-21-43-32-29(22-44-31(28)32)42-19-25-14-8-4-9-15-25/h3-17,23,27-32H,18-22H2,1-2H3,(H,36,40)(H,37,39)(H,38,41)/t27-,28+,29-,30+,31-,32-/m1/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446230
PNG
(CHEMBL3109059)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CO[C@@H]3[C@@H](CO[C@H]23)OCc2ccccc2)c1 |r|
Show InChI InChI=1S/C31H38N4O8S/c1-20-10-12-23(13-11-20)44(38,39)35-15-22(32-19-35)14-24(34-30(37)43-31(2,3)4)29(36)33-25-17-41-28-26(18-42-27(25)28)40-16-21-8-6-5-7-9-21/h5-13,15,19,24-28H,14,16-18H2,1-4H3,(H,33,36)(H,34,37)/t24-,25-,26+,27+,28+/m0/s1
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4.40E+3n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446212
PNG
(CHEMBL3109057)
Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H30N2O6/c29-25(21-12-7-13-28(21)26(30)34-15-19-10-5-2-6-11-19)27-20-16-32-24-22(17-33-23(20)24)31-14-18-8-3-1-4-9-18/h1-6,8-11,20-24H,7,12-17H2,(H,27,29)/t20-,21+,22+,23+,24+/m0/s1
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1.51E+4n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446226
PNG
(CHEMBL3109158)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C23H31NO7/c1-23(2,3)31-22(26)24-11-7-10-16(24)21(25)30-18-14-29-19-17(13-28-20(18)19)27-12-15-8-5-4-6-9-15/h4-6,8-9,16-20H,7,10-14H2,1-3H3/t16-,17+,18+,19+,20+/m0/s1
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1.56E+4n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446223
PNG
(CHEMBL3109161)
Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C23H33NO7S/c1-23(2,3)31-22(26)24-16(10-11-32-4)21(25)30-18-14-29-19-17(13-28-20(18)19)27-12-15-8-6-5-7-9-15/h5-9,16-20H,10-14H2,1-4H3,(H,24,26)/t16-,17+,18+,19+,20+/m0/s1
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1.84E+4n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446215
PNG
(CHEMBL3109169)
Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C23H34N2O6S/c1-23(2,3)31-22(27)25-16(10-11-32-4)21(26)24-17-13-29-20-18(14-30-19(17)20)28-12-15-8-6-5-7-9-15/h5-9,16-20H,10-14H2,1-4H3,(H,24,26)(H,25,27)/t16-,17-,18+,19+,20+/m0/s1
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2.66E+4n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446214
PNG
(CHEMBL3109170)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H35N3O6/c1-29(2,3)38-28(34)32-22(13-19-14-30-21-12-8-7-11-20(19)21)27(33)31-23-16-36-26-24(17-37-25(23)26)35-15-18-9-5-4-6-10-18/h4-12,14,22-26,30H,13,15-17H2,1-3H3,(H,31,33)(H,32,34)/t22-,23+,24-,25-,26-/m1/s1
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2.82E+4n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50391078
PNG
(CHEMBL2087346)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r|
Show InChI InChI=1S/C27H26N2O6/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-32-20)27(31)29-22-16-34-25-23(17-35-24(22)25)33-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
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7.04E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446227
PNG
(CHEMBL3109056)
Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23+,24+,25+/m0/s1
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7.07E+4n/an/an/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated ...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50391075
PNG
(CHEMBL2087343)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
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7.07E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50391079
PNG
(CHEMBL2087347)
Show SMILES CC(=O)N\C(=C/c1cccs1)C(=O)N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C22H24N2O5S/c1-14(25)23-17(10-16-8-5-9-30-16)22(26)24-18-12-28-21-19(13-29-20(18)21)27-11-15-6-3-2-4-7-15/h2-10,18-21H,11-13H2,1H3,(H,23,25)(H,24,26)/b17-10-/t18-,19-,20-,21-/m1/s1
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7.19E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50391077
PNG
(CHEMBL2087345)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccnc1 |r|
Show InChI InChI=1S/C28H27N3O5/c32-27(21-11-5-2-6-12-21)30-22(14-20-10-7-13-29-15-20)28(33)31-23-17-35-26-24(18-36-25(23)26)34-16-19-8-3-1-4-9-19/h1-15,23-26H,16-18H2,(H,30,32)(H,31,33)/b22-14-/t23-,24-,25-,26-/m1/s1
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7.51E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50391079
PNG
(CHEMBL2087347)
Show SMILES CC(=O)N\C(=C/c1cccs1)C(=O)N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C22H24N2O5S/c1-14(25)23-17(10-16-8-5-9-30-16)22(26)24-18-12-28-21-19(13-29-20(18)21)27-11-15-6-3-2-4-7-15/h2-10,18-21H,11-13H2,1H3,(H,23,25)(H,24,26)/b17-10-/t18-,19-,20-,21-/m1/s1
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7.74E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50391076
PNG
(CHEMBL2087344)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C30H28N2O7/c33-29(21-9-5-2-6-10-21)31-22(13-20-11-12-24-25(14-20)39-18-38-24)30(34)32-23-16-36-28-26(17-37-27(23)28)35-15-19-7-3-1-4-8-19/h1-14,23,26-28H,15-18H2,(H,31,33)(H,32,34)/b22-13-/t23-,26-,27-,28-/m1/s1
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8.03E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50391077
PNG
(CHEMBL2087345)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccnc1 |r|
Show InChI InChI=1S/C28H27N3O5/c32-27(21-11-5-2-6-12-21)30-22(14-20-10-7-13-29-15-20)28(33)31-23-17-35-26-24(18-36-25(23)26)34-16-19-8-3-1-4-9-19/h1-15,23-26H,16-18H2,(H,30,32)(H,31,33)/b22-14-/t23-,24-,25-,26-/m1/s1
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2.00E+5n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50391076
PNG
(CHEMBL2087344)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C30H28N2O7/c33-29(21-9-5-2-6-10-21)31-22(13-20-11-12-24-25(14-20)39-18-38-24)30(34)32-23-16-36-28-26(17-37-27(23)28)35-15-19-7-3-1-4-8-19/h1-14,23,26-28H,15-18H2,(H,31,33)(H,32,34)/b22-13-/t23-,26-,27-,28-/m1/s1
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3.57E+5n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446220
PNG
(CHEMBL3109164)
Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H29NO7/c28-25(20-12-7-13-27(20)26(29)33-15-19-10-5-2-6-11-19)34-22-17-32-23-21(16-31-24(22)23)30-14-18-8-3-1-4-9-18/h1-6,8-11,20-24H,7,12-17H2/t20-,21-,22-,23-,24-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins p...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446221
PNG
(CHEMBL3109163)
Show SMILES O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C35H38N2O8/c38-33(28-17-10-18-37(28)35(40)44-21-26-15-8-3-9-16-26)36-27(19-24-11-4-1-5-12-24)34(39)45-30-23-43-31-29(22-42-32(30)31)41-20-25-13-6-2-7-14-25/h1-9,11-16,27-32H,10,17-23H2,(H,36,38)/t27-,28-,29+,30+,31+,32+/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins p...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50205620
PNG
(CHEMBL3943212)
Show SMILES [H][C@]12OC[C@H](N(C(=O)Cc3ccc(O)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40N2O6/c1-31(2,30(36)32-23-11-7-4-8-12-23)33(27(35)17-21-13-15-24(34)16-14-21)25-19-38-29-26(20-39-28(25)29)37-18-22-9-5-3-6-10-22/h3,5-6,9-10,13-16,23,25-26,28-29,34H,4,7-8,11-12,17-20H2,1-2H3,(H,32,36)/t25-,26+,28+,29+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK1 expressed in baculovirus/insect cell expression system using Abz-KLRSSKQ-EDDnp peptide as substrate preincubated...


Bioorg Med Chem Lett 27: 314-318 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.051
BindingDB Entry DOI: 10.7270/Q2WW7KNV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446218
PNG
(CHEMBL3109166)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H35NO9/c1-29(2,3)39-28(33)30-21(14-24(31)35-16-20-12-8-5-9-13-20)27(32)38-23-18-37-25-22(17-36-26(23)25)34-15-19-10-6-4-7-11-19/h4-13,21-23,25-26H,14-18H2,1-3H3,(H,30,33)/t21-,22+,23+,25+,26+/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins p...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446219
PNG
(CHEMBL3109165)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H42N2O9/c1-32(2,3)43-31(37)34-24(16-10-11-17-33-30(36)41-19-23-14-8-5-9-15-23)29(35)42-26-21-40-27-25(20-39-28(26)27)38-18-22-12-6-4-7-13-22/h4-9,12-15,24-28H,10-11,16-21H2,1-3H3,(H,33,36)(H,34,37)/t24-,25+,26+,27+,28+/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins p...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446218
PNG
(CHEMBL3109166)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H35NO9/c1-29(2,3)39-28(33)30-21(14-24(31)35-16-20-12-8-5-9-13-20)27(32)38-23-18-37-25-22(17-36-26(23)25)34-15-19-10-6-4-7-11-19/h4-13,21-23,25-26H,14-18H2,1-3H3,(H,30,33)/t21-,22+,23+,25+,26+/m0/s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated for 5 mins p...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446228
PNG
(CHEMBL3109061)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]-[#6@H]-1-2)-[#8]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H49N5O10/c1-40(2,3)55-39(49)43-30(35(46)42-31-25-51-34-32(26-52-33(31)34)50-22-27-14-7-4-8-15-27)20-13-21-41-36(44-37(47)53-23-28-16-9-5-10-17-28)45-38(48)54-24-29-18-11-6-12-19-29/h4-12,14-19,30-34H,13,20-26H2,1-3H3,(H,42,46)(H,43,49)(H2,41,44,45,47,48)/t30-,31+,32-,33-,34-/m1/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins p...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50205625
PNG
(CHEMBL3901491)
Show SMILES [H][C@]12OC[C@H](N(C(=O)Cc3ccc(O)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@@H]2N(C(=O)Cc1ccc(O)cc1)C(C)(C)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C42H58N4O8/c1-41(2,39(51)43-29-11-7-5-8-12-29)45(35(49)23-27-15-19-31(47)20-16-27)33-25-53-38-34(26-54-37(33)38)46(36(50)24-28-17-21-32(48)22-18-28)42(3,4)40(52)44-30-13-9-6-10-14-30/h15-22,29-30,33-34,37-38,47-48H,5-14,23-26H2,1-4H3,(H,43,51)(H,44,52)/t33-,34-,37+,38+/m0/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK1 expressed in baculovirus/insect cell expression system using Abz-KLRSSKQ-EDDnp peptide as substrate preincubated...


Bioorg Med Chem Lett 27: 314-318 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.051
BindingDB Entry DOI: 10.7270/Q2WW7KNV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446211
PNG
(CHEMBL3109058)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H43N3O8/c1-32(2,3)43-31(38)35-24(16-10-11-17-33-30(37)42-19-23-14-8-5-9-15-23)29(36)34-25-20-40-28-26(21-41-27(25)28)39-18-22-12-6-4-7-13-22/h4-9,12-15,24-28H,10-11,16-21H2,1-3H3,(H,33,37)(H,34,36)(H,35,38)/t24-,25-,26+,27+,28+/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins p...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50391075
PNG
(CHEMBL2087343)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446227
PNG
(CHEMBL3109056)
Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|
Show InChI InChI=1S/C27H26N2O5S/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-35-20)27(31)29-22-16-33-25-23(17-34-24(22)25)32-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23+,24+,25+/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated for 5 mins p...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446219
PNG
(CHEMBL3109165)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H42N2O9/c1-32(2,3)43-31(37)34-24(16-10-11-17-33-30(36)41-19-23-14-8-5-9-15-23)29(35)42-26-21-40-27-25(20-39-28(26)27)38-18-22-12-6-4-7-13-22/h4-9,12-15,24-28H,10-11,16-21H2,1-3H3,(H,33,36)(H,34,37)/t24-,25+,26+,27+,28+/m0/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated for 5 mins p...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-5 [D153N]


(Homo sapiens (Human))
BDBM50446224
PNG
(CHEMBL3109160)
Show SMILES CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C28H35NO8/c1-28(2,3)37-27(31)29-21(16-32-14-19-10-6-4-7-11-19)26(30)36-23-18-35-24-22(17-34-25(23)24)33-15-20-12-8-5-9-13-20/h4-13,21-25H,14-18H2,1-3H3,(H,29,31)/t21-,22-,23-,24-,25-/m1/s1
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n/an/a 1.55E+4n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins p...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50446224
PNG
(CHEMBL3109160)
Show SMILES CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
Show InChI InChI=1S/C28H35NO8/c1-28(2,3)37-27(31)29-21(16-32-14-19-10-6-4-7-11-19)26(30)36-23-18-35-24-22(17-34-25(23)24)33-15-20-12-8-5-9-13-20/h4-13,21-25H,14-18H2,1-3H3,(H,29,31)/t21-,22-,23-,24-,25-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated for 5 mins p...


ACS Med Chem Lett 5: 128-32 (2014)


Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50391078
PNG
(CHEMBL2087346)
Show SMILES O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r|
Show InChI InChI=1S/C27H26N2O6/c30-26(19-10-5-2-6-11-19)28-21(14-20-12-7-13-32-20)27(31)29-22-16-34-25-23(17-35-24(22)25)33-15-18-8-3-1-4-9-18/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/b21-14-/t22-,23-,24-,25-/m1/s1
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Article
PubMed
n/an/a 1.63E+4n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis


Bioorg Med Chem Lett 22: 6072-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.047
BindingDB Entry DOI: 10.7270/Q2SF2X8R
More data for this
Ligand-Target Pair
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