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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'abrahão' and Initial = 'o'   
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 7


(Homo sapiens)
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
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)
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
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 7


(Homo sapiens)
BDBM50355086
PNG
(CHEMBL1834753)
Show SMILES COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O
Show InChI InChI=1S/C32H26O12/c1-11-7-13-21(31(37)43-11)25(33)19-15(29(13)41-5)9-17(39-3)23(27(19)35)24-18(40-4)10-16-20(28(24)36)26(34)22-14(30(16)42-6)8-12(2)44-32(22)38/h7-10,33-36H,1-6H3
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1.22E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50355088
PNG
(CHEMBL1834754)
Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O
Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1
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2.29E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50355086
PNG
(CHEMBL1834753)
Show SMILES COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O
Show InChI InChI=1S/C32H26O12/c1-11-7-13-21(31(37)43-11)25(33)19-15(29(13)41-5)9-17(39-3)23(27(19)35)24-18(40-4)10-16-20(28(24)36)26(34)22-14(30(16)42-6)8-12(2)44-32(22)38/h7-10,33-36H,1-6H3
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2.44E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM50355088
PNG
(CHEMBL1834754)
Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O
Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1
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3.72E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50355087
PNG
(CHEMBL1833982)
Show SMILES COc1cc(O)c2c(O)c3c(cc(C)oc3=O)c(OC)c2c1
Show InChI InChI=1S/C16H14O6/c1-7-4-9-13(16(19)22-7)14(18)12-10(15(9)21-3)5-8(20-2)6-11(12)17/h4-6,17-18H,1-3H3
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4.75E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
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
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 7


(Homo sapiens)
BDBM50355087
PNG
(CHEMBL1833982)
Show SMILES COc1cc(O)c2c(O)c3c(cc(C)oc3=O)c(OC)c2c1
Show InChI InChI=1S/C16H14O6/c1-7-4-9-13(16(19)22-7)14(18)12-10(15(9)21-3)5-8(20-2)6-11(12)17/h4-6,17-18H,1-3H3
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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
Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
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
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


(Homo sapiens)
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
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)
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
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)
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
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)
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
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


(Homo sapiens)
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
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


(Homo sapiens)
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
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 7


(Homo sapiens)
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
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)
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
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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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
Kallikrein 5


(Homo sapiens)
BDBM50355088
PNG
(CHEMBL1834754)
Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O
Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1
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n/an/a 5.37E+4n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by spectrofluorimetric assay


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50355086
PNG
(CHEMBL1834753)
Show SMILES COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O
Show InChI InChI=1S/C32H26O12/c1-11-7-13-21(31(37)43-11)25(33)19-15(29(13)41-5)9-17(39-3)23(27(19)35)24-18(40-4)10-16-20(28(24)36)26(34)22-14(30(16)42-6)8-12(2)44-32(22)38/h7-10,33-36H,1-6H3
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n/an/a 7.29E+4n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by spectrofluorimetric assay


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
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
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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n/an/a 9.91E+4n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 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 5


(Homo sapiens)
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
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 9.92E+4n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 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 5


(Homo sapiens)
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
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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n/an/a 1.01E+5n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 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)
BDBM50355086
PNG
(CHEMBL1834753)
Show SMILES COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O
Show InChI InChI=1S/C32H26O12/c1-11-7-13-21(31(37)43-11)25(33)19-15(29(13)41-5)9-17(39-3)23(27(19)35)24-18(40-4)10-16-20(28(24)36)26(34)22-14(30(16)42-6)8-12(2)44-32(22)38/h7-10,33-36H,1-6H3
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n/an/a 1.12E+5n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by spectrofluorimetric assay


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM50355088
PNG
(CHEMBL1834754)
Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O
Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1
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n/an/a 1.35E+5n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by spectrofluorimetric assay


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
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
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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n/an/a 1.61E+5n/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)
BDBM50355087
PNG
(CHEMBL1833982)
Show SMILES COc1cc(O)c2c(O)c3c(cc(C)oc3=O)c(OC)c2c1
Show InChI InChI=1S/C16H14O6/c1-7-4-9-13(16(19)22-7)14(18)12-10(15(9)21-3)5-8(20-2)6-11(12)17/h4-6,17-18H,1-3H3
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n/an/a 1.66E+5n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by spectrofluorimetric assay


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
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
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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n/an/a 1.96E+5n/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)
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
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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n/an/a 2.05E+5n/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 5


(Homo sapiens)
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
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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n/an/a 3.24E+5n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 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 5


(Homo sapiens)
BDBM50355087
PNG
(CHEMBL1833982)
Show SMILES COc1cc(O)c2c(O)c3c(cc(C)oc3=O)c(OC)c2c1
Show InChI InChI=1S/C16H14O6/c1-7-4-9-13(16(19)22-7)14(18)12-10(15(9)21-3)5-8(20-2)6-11(12)17/h4-6,17-18H,1-3H3
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n/an/a 3.67E+5n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by spectrofluorimetric assay


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
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
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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n/an/a>1.00E+6n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KLK5 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