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Compile Data Set for Download or QSAR

Found 39 hits of ph data with Target = 'Matriptase'   
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
Matriptase


(Homo sapiens (human))
BDBM23887
PNG
(3-amidinophenylalanine deriv., 31 | 4-({4-[(2S)-3-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N
Show InChI InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1
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PubMed
14 -44.8n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matriptase


(Homo sapiens (human))
BDBM23877
PNG
(3-[(2S)-2-(anthracene-2-sulfonamido)-3-[4-(3-carba...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1
Show InChI InChI=1S/C32H36N8O4S/c33-30(34)25-7-3-4-21(16-25)17-28(31(42)40-14-12-39(13-15-40)29(41)10-11-37-32(35)36)38-45(43,44)27-9-8-24-18-22-5-1-2-6-23(22)19-26(24)20-27/h1-9,16,18-20,28,38H,10-15,17H2,(H3,33,34)(H4,35,36,37)/t28-/m0/s1
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44 -42.0n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matriptase


(Homo sapiens (human))
BDBM23890
PNG
(3-amidinophenylalanine deriv., 34 | 4-({4-[(2S)-3-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)C1CCN(CC1)C(N)=N
Show InChI InChI=1S/C37H56N8O4S/c1-23(2)29-21-30(24(3)4)33(31(22-29)25(5)6)50(48,49)42-32(20-26-9-7-10-28(19-26)34(38)39)36(47)44-14-8-13-43(17-18-44)35(46)27-11-15-45(16-12-27)37(40)41/h7,9-10,19,21-25,27,32,42H,8,11-18,20H2,1-6H3,(H3,38,39)(H3,40,41)/t32-/m0/s1
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50 -41.7n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23876
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C32H34N8O6S/c33-30(34)20-5-3-4-19(16-20)17-26(31(44)40-14-12-39(13-15-40)27(41)10-11-37-32(35)36)38-47(45,46)21-8-9-24-25(18-21)29(43)23-7-2-1-6-22(23)28(24)42/h1-9,16,18,26,38H,10-15,17H2,(H3,33,34)(H4,35,36,37)/t26-/m0/s1
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53 -41.5n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23867
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C33H50N8O4S/c1-20(2)25-18-26(21(3)4)30(27(19-25)22(5)6)46(44,45)39-28(17-23-8-7-9-24(16-23)31(34)35)32(43)41-14-12-40(13-15-41)29(42)10-11-38-33(36)37/h7-9,16,18-22,28,39H,10-15,17H2,1-6H3,(H3,34,35)(H4,36,37,38)/t28-/m0/s1
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57 -41.3n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23870
PNG
(3-[(2S)-3-[4-(4-carbamimidamidobutanoyl)piperazin-...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCCN=C(N)N
Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-15-13-41(14-16-42)30(43)11-8-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1
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61 -41.2n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23888
PNG
(3-amidinophenylalanine deriv., 32 | 4-({4-[(2S)-3-...)
Show SMILES NC(=N)N1CCC(CC1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H40N8O4S/c34-30(35)27-8-4-5-23(21-27)22-29(38-46(44,45)28-11-9-25(10-12-28)24-6-2-1-3-7-24)32(43)40-19-17-39(18-20-40)31(42)26-13-15-41(16-14-26)33(36)37/h1-12,21,26,29,38H,13-20,22H2,(H3,34,35)(H3,36,37)/t29-/m0/s1
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61 -41.2n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23874
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)-1,4-diaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-14-8-13-41(15-16-42)30(43)11-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1
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65 -41.0n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23878
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C30H42N8O4S/c31-28(32)24-8-4-5-21(19-24)20-26(29(40)38-17-15-37(16-18-38)27(39)13-14-35-30(33)34)36-43(41,42)25-11-9-23(10-12-25)22-6-2-1-3-7-22/h4-5,8-12,19,22,26,36H,1-3,6-7,13-18,20H2,(H3,31,32)(H4,33,34,35)/t26-/m0/s1
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89 -40.2n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23875
PNG
(3-[(2S)-3-[4-(3-aminopropanoyl)-1,4-diazepan-1-yl]...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN
Show InChI InChI=1S/C33H50N6O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)44(42,43)37-29(18-24-9-7-10-25(17-24)32(35)36)33(41)39-14-8-13-38(15-16-39)30(40)11-12-34/h7,9-10,17,19-23,29,37H,8,11-16,18,34H2,1-6H3,(H3,35,36)/t29-/m0/s1
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96 -40.1n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23886
PNG
(3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCNCC1
Show InChI InChI=1S/C35H52N6O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)46(44,45)39-31(19-25-8-7-9-27(18-25)33(36)37)35(43)41-16-14-40(15-17-41)34(42)26-10-12-38-13-11-26/h7-9,18,20-24,26,31,38-39H,10-17,19H2,1-6H3,(H3,36,37)/t31-/m0/s1
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100 -40.0n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23889
PNG
(3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)-1,4-di...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)C1CCNCC1
Show InChI InChI=1S/C36H54N6O4S/c1-23(2)29-21-30(24(3)4)33(31(22-29)25(5)6)47(45,46)40-32(20-26-9-7-10-28(19-26)34(37)38)36(44)42-16-8-15-41(17-18-42)35(43)27-11-13-39-14-12-27/h7,9-10,19,21-25,27,32,39-40H,8,11-18,20H2,1-6H3,(H3,37,38)/t32-/m0/s1
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130 -39.3n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23871
PNG
(3-[(2S)-3-[4-(4-aminobutanoyl)piperazin-1-yl]-3-ox...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCCN
Show InChI InChI=1S/C33H50N6O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)44(42,43)37-29(18-24-9-7-10-25(17-24)32(35)36)33(41)39-15-13-38(14-16-39)30(40)11-8-12-34/h7,9-10,17,19-23,29,37H,8,11-16,18,34H2,1-6H3,(H3,35,36)/t29-/m0/s1
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140 -39.1n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23869
PNG
(3-[(2S)-3-[4-(3-aminopropanoyl)piperazin-1-yl]-3-o...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN
Show InChI InChI=1S/C32H48N6O4S/c1-20(2)25-18-26(21(3)4)30(27(19-25)22(5)6)43(41,42)36-28(17-23-8-7-9-24(16-23)31(34)35)32(40)38-14-12-37(13-15-38)29(39)10-11-33/h7-9,16,18-22,28,36H,10-15,17,33H2,1-6H3,(H3,34,35)/t28-/m0/s1
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170 -38.6n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23879
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES CCC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C29H42N8O4S/c1-4-29(2,3)22-8-10-23(11-9-22)42(40,41)35-24(19-20-6-5-7-21(18-20)26(30)31)27(39)37-16-14-36(15-17-37)25(38)12-13-34-28(32)33/h5-11,18,24,35H,4,12-17,19H2,1-3H3,(H3,30,31)(H4,32,33,34)/t24-/m0/s1
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200 -38.2n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23880
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H34N8O4S/c29-26(30)22-7-3-4-19(16-22)17-24(34-41(39,40)23-9-8-20-5-1-2-6-21(20)18-23)27(38)36-14-12-35(13-15-36)25(37)10-11-33-28(31)32/h1-9,16,18,24,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t24-/m0/s1
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210 -38.1n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matriptase


(Homo sapiens (human))
BDBM23881
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H36N8O4S/c31-28(32)24-8-4-5-21(19-24)20-26(29(40)38-17-15-37(16-18-38)27(39)13-14-35-30(33)34)36-43(41,42)25-11-9-23(10-12-25)22-6-2-1-3-7-22/h1-12,19,26,36H,13-18,20H2,(H3,31,32)(H4,33,34,35)/t26-/m0/s1
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250 -37.7n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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PubMed
320 -37.1n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23872
PNG
(3-amidinophenylalanine deriv., 16 | 3-{3-[4-(2-car...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CN=C(N)N
Show InChI InChI=1S/C32H48N8O4S/c1-19(2)24-16-25(20(3)4)29(26(17-24)21(5)6)45(43,44)38-27(15-22-8-7-9-23(14-22)30(33)34)31(42)40-12-10-39(11-13-40)28(41)18-37-32(35)36/h7-9,14,16-17,19-21,27,38H,10-13,15,18H2,1-6H3,(H3,33,34)(H4,35,36,37)
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330 -37.0n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23882
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H34N8O4S/c29-26(30)21-8-3-5-19(17-21)18-23(34-41(39,40)24-10-4-7-20-6-1-2-9-22(20)24)27(38)36-15-13-35(14-16-36)25(37)11-12-33-28(31)32/h1-10,17,23,34H,11-16,18H2,(H3,29,30)(H4,31,32,33)/t23-/m0/s1
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340 -36.9n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matriptase


(Homo sapiens (human))
BDBM23883
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C29H36N8O4S/c30-27(31)24-7-3-4-20(16-24)18-25(28(39)37-14-12-36(13-15-37)26(38)10-11-34-29(32)33)35-42(40,41)19-21-8-9-22-5-1-2-6-23(22)17-21/h1-9,16-17,25,35H,10-15,18-19H2,(H3,30,31)(H4,32,33,34)/t25-/m0/s1
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400 -36.5n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23873
PNG
(3-amidinophenylalanine deriv., 17 | 3-{3-[4-(2-ami...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C31H46N6O4S/c1-19(2)24-16-25(20(3)4)29(26(17-24)21(5)6)42(40,41)35-27(15-22-8-7-9-23(14-22)30(33)34)31(39)37-12-10-36(11-13-37)28(38)18-32/h7-9,14,16-17,19-21,27,35H,10-13,15,18,32H2,1-6H3,(H3,33,34)
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690 -35.2n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23884
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)CCc1cccc2ccccc12
Show InChI InChI=1S/C30H38N8O4S/c31-28(32)24-9-3-5-21(19-24)20-26(29(40)38-16-14-37(15-17-38)27(39)11-13-35-30(33)34)36-43(41,42)18-12-23-8-4-7-22-6-1-2-10-25(22)23/h1-10,19,26,36H,11-18,20H2,(H3,31,32)(H4,33,34,35)/t26-/m0/s1
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690 -35.2n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23885
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES Cc1c2CC(C)(C)Oc2c(C)c(C)c1S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN=C(N)N
Show InChI InChI=1S/C31H44N8O5S/c1-18-19(2)27(20(3)23-17-31(4,5)44-26(18)23)45(42,43)37-24(16-21-7-6-8-22(15-21)28(32)33)29(41)39-13-11-38(12-14-39)25(40)9-10-36-30(34)35/h6-8,15,24,37H,9-14,16-17H2,1-5H3,(H3,32,33)(H4,34,35,36)/t24-/m0/s1
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730 -35.0n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM23892
PNG
(3-[(2S)-2-[(9,10-dioxo-9,10-dihydroanthracene-2-)s...)
Show SMILES CCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C31H31N5O6S/c1-2-27(37)35-12-14-36(15-13-35)31(40)26(17-19-6-5-7-20(16-19)30(32)33)34-43(41,42)21-10-11-24-25(18-21)29(39)23-9-4-3-8-22(23)28(24)38/h3-11,16,18,26,34H,2,12-15,17H2,1H3,(H3,32,33)/t26-/m0/s1
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1.50E+3 -33.2n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21737
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
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100 -39.6n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21751
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSCSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C68H106N18O18S2/c1-6-36(3)52-63(100)80-45-33-105-35-106-34-46(79-56(93)40(20-13-25-72-68(70)71)74-50(89)31-73-55(92)42(30-51(90)91)76-61(98)47-21-14-26-84(47)65(102)43(77-59(45)96)29-39-17-9-8-10-18-39)60(97)83-54(38(5)88)64(101)75-41(19-11-12-24-69)57(94)78-44(32-87)58(95)82-53(37(4)7-2)67(104)86-28-16-23-49(86)66(103)85-27-15-22-48(85)62(99)81-52/h8-10,17-18,36-38,40-49,52-54,87-88H,6-7,11-16,19-35,69H2,1-5H3,(H,73,92)(H,74,89)(H,75,101)(H,76,98)(H,77,96)(H,78,94)(H,79,93)(H,80,100)(H,81,99)(H,82,95)(H,83,97)(H,90,91)(H4,70,71,72)/t36-,37-,38+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-,54-/m0/s1
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160 -38.4n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21750
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31S,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CCSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C68H106N18O18S2/c1-6-36(3)52-63(100)80-46-35-106-105-30-24-42(75-56(93)40(20-13-26-72-68(70)71)74-50(89)33-73-55(92)43(32-51(90)91)77-61(98)47-21-14-27-84(47)65(102)44(78-60(46)97)31-39-17-9-8-10-18-39)58(95)83-54(38(5)88)64(101)76-41(19-11-12-25-69)57(94)79-45(34-87)59(96)82-53(37(4)7-2)67(104)86-29-16-23-49(86)66(103)85-28-15-22-48(85)62(99)81-52/h8-10,17-18,36-38,40-49,52-54,87-88H,6-7,11-16,19-35,69H2,1-5H3,(H,73,92)(H,74,89)(H,75,93)(H,76,101)(H,77,98)(H,78,97)(H,79,94)(H,80,100)(H,81,99)(H,82,96)(H,83,95)(H,90,91)(H4,70,71,72)/t36-,37-,38+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-,54-/m0/s1
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380 -36.3n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21746
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C71H106N18O18S2/c1-6-37(3)55-66(103)83-48-35-108-109-36-49(63(100)86-57(39(5)91)67(104)78-44(18-10-11-25-72)60(97)81-47(34-90)61(98)85-56(38(4)7-2)70(107)89-29-15-22-52(89)69(106)88-28-14-21-51(88)65(102)84-55)82-59(96)43(19-12-26-75-71(73)74)77-53(92)33-76-58(95)45(32-54(93)94)79-64(101)50-20-13-27-87(50)68(105)46(80-62(48)99)31-40-23-24-41-16-8-9-17-42(41)30-40/h8-9,16-17,23-24,30,37-39,43-52,55-57,90-91H,6-7,10-15,18-22,25-29,31-36,72H2,1-5H3,(H,76,95)(H,77,92)(H,78,104)(H,79,101)(H,80,99)(H,81,97)(H,82,96)(H,83,103)(H,84,102)(H,85,98)(H,86,100)(H,93,94)(H4,73,74,75)/t37-,38-,39+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-,57-/m0/s1
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450 -35.9n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21749
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C68H106N18O18S2/c1-6-36(3)52-63(100)80-45-34-105-106-35-46(79-56(93)40(21-12-14-26-72-68(70)71)74-50(89)32-73-55(92)42(31-51(90)91)76-61(98)47-22-15-27-84(47)65(102)43(77-59(45)96)30-39-18-9-8-10-19-39)60(97)83-54(38(5)88)64(101)75-41(20-11-13-25-69)57(94)78-44(33-87)58(95)82-53(37(4)7-2)67(104)86-29-17-24-49(86)66(103)85-28-16-23-48(85)62(99)81-52/h8-10,18-19,36-38,40-49,52-54,87-88H,6-7,11-17,20-35,69H2,1-5H3,(H,73,92)(H,74,89)(H,75,101)(H,76,98)(H,77,96)(H,78,94)(H,79,93)(H,80,100)(H,81,99)(H,82,95)(H,83,97)(H,90,91)(H4,70,71,72)/t36-,37-,38+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-,54-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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Article
PubMed
857 -34.3n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21748
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H99F5N18O18S2/c1-6-30(3)51-62(104)84-39-28-109-110-29-40(59(101)87-53(32(5)92)63(105)79-35(14-8-9-19-73)56(98)82-38(27-91)57(99)86-52(31(4)7-2)66(108)90-23-13-18-43(90)65(107)89-22-12-17-42(89)61(103)85-51)83-55(97)34(15-10-20-76-67(74)75)78-44(93)26-77-54(96)36(25-45(94)95)80-60(102)41-16-11-21-88(41)64(106)37(81-58(39)100)24-33-46(68)48(70)50(72)49(71)47(33)69/h30-32,34-43,51-53,91-92H,6-29,73H2,1-5H3,(H,77,96)(H,78,93)(H,79,105)(H,80,102)(H,81,100)(H,82,98)(H,83,97)(H,84,104)(H,85,103)(H,86,99)(H,87,101)(H,94,95)(H4,74,75,76)/t30-,31-,32+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,51-,52-,53-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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Article
PubMed
890 -34.2n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21747
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C73H108N18O18S2/c1-6-39(3)57-68(105)85-50-37-110-111-38-51(65(102)88-59(41(5)93)69(106)80-46(19-11-12-28-74)62(99)83-49(36-92)63(100)87-58(40(4)7-2)72(109)91-32-16-23-54(91)71(108)90-31-15-22-53(90)67(104)86-57)84-61(98)45(20-13-29-77-73(75)76)79-55(94)35-78-60(97)47(34-56(95)96)81-66(103)52-21-14-30-89(52)70(107)48(82-64(50)101)33-42-24-26-44(27-25-42)43-17-9-8-10-18-43/h8-10,17-18,24-27,39-41,45-54,57-59,92-93H,6-7,11-16,19-23,28-38,74H2,1-5H3,(H,78,97)(H,79,94)(H,80,106)(H,81,103)(H,82,101)(H,83,99)(H,84,98)(H,85,105)(H,86,104)(H,87,100)(H,88,102)(H,95,96)(H4,75,76,77)/t39-,40-,41+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-,59-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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Article
PubMed
1.00E+3 -33.9n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21745
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O
Show InChI InChI=1S/C66H101N19O19S2/c1-4-34(2)51-65(104)85-27-13-20-47(85)64(103)84-26-12-19-46(84)60(99)74-39(21-22-48(68)88)56(95)79-43-32-105-106-33-44(59(98)82-52(35(3)87)62(101)75-38(16-8-9-23-67)55(94)78-42(31-86)57(96)81-51)80-54(93)37(17-10-24-71-66(69)70)73-49(89)30-72-53(92)40(29-50(90)91)76-61(100)45-18-11-25-83(45)63(102)41(77-58(43)97)28-36-14-6-5-7-15-36/h5-7,14-15,34-35,37-47,51-52,86-87H,4,8-13,16-33,67H2,1-3H3,(H2,68,88)(H,72,92)(H,73,89)(H,74,99)(H,75,101)(H,76,100)(H,77,97)(H,78,94)(H,79,95)(H,80,93)(H,81,96)(H,82,98)(H,90,91)(H4,69,70,71)/t34-,35+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-,52-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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Article
PubMed
2.33E+3 -31.8n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21739
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H104N20O18S2/c1-6-34(3)50-61(101)81-43-32-106-107-33-44(80-54(94)38(18-11-23-72-66(68)69)75-48(90)30-74-53(93)40(29-49(91)92)77-59(99)45-20-13-25-85(45)63(103)41(78-57(43)97)28-37-16-9-8-10-17-37)58(98)84-52(36(5)89)62(102)76-39(19-12-24-73-67(70)71)55(95)79-42(31-88)56(96)83-51(35(4)7-2)65(105)87-27-15-22-47(87)64(104)86-26-14-21-46(86)60(100)82-50/h8-10,16-17,34-36,38-47,50-52,88-89H,6-7,11-15,18-33H2,1-5H3,(H,74,93)(H,75,90)(H,76,102)(H,77,99)(H,78,97)(H,79,95)(H,80,94)(H,81,101)(H,82,100)(H,83,96)(H,84,98)(H,91,92)(H4,68,69,72)(H4,70,71,73)/t34-,35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-,51-,52-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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Article
PubMed
4.75E+3 -30.1n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21742
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=O)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H103N17O19S2/c1-6-35(3)51-62(98)78-44-33-104-105-34-45(77-55(91)39(20-13-25-70-67(69)103)72-49(87)31-71-54(90)41(30-50(88)89)74-60(96)46-21-14-26-82(46)64(100)42(75-58(44)94)29-38-17-9-8-10-18-38)59(95)81-53(37(5)86)63(99)73-40(19-11-12-24-68)56(92)76-43(32-85)57(93)80-52(36(4)7-2)66(102)84-28-16-23-48(84)65(101)83-27-15-22-47(83)61(97)79-51/h8-10,17-18,35-37,39-48,51-53,85-86H,6-7,11-16,19-34,68H2,1-5H3,(H,71,90)(H,72,87)(H,73,99)(H,74,96)(H,75,94)(H,76,92)(H,77,91)(H,78,98)(H,79,97)(H,80,93)(H,81,95)(H,88,89)(H3,69,70,103)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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Article
PubMed
2.25E+4 -26.3n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21743
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C68H106N18O18S2/c1-6-36(3)52-63(100)80-45-34-105-106-35-46(79-56(93)40(21-14-26-72-68(70)71)74-50(89)32-73-55(92)42(31-51(90)91)76-61(98)47-22-15-27-84(47)65(102)43(77-59(45)96)30-39-18-10-8-11-19-39)60(97)83-54(38(5)88)64(101)75-41(20-12-9-13-25-69)57(94)78-44(33-87)58(95)82-53(37(4)7-2)67(104)86-29-17-24-49(86)66(103)85-28-16-23-48(85)62(99)81-52/h8,10-11,18-19,36-38,40-49,52-54,87-88H,6-7,9,12-17,20-35,69H2,1-5H3,(H,73,92)(H,74,89)(H,75,101)(H,76,98)(H,77,96)(H,78,94)(H,79,93)(H,80,100)(H,81,99)(H,82,95)(H,83,97)(H,90,91)(H4,70,71,72)/t36-,37-,38+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-,54-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

Similars

Article
PubMed
2.80E+4 -25.7n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21741
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)N=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C71H104N18O18S2/c1-6-37(3)55-66(103)83-48-35-108-109-36-49(63(100)86-57(39(5)91)67(104)78-43(18-11-12-26-72)59(96)81-47(34-90)61(98)85-56(38(4)7-2)70(107)89-29-15-21-52(89)69(106)88-28-14-20-51(88)65(102)84-55)82-60(97)44(30-41-22-24-42(25-23-41)76-71(73)74)77-53(92)33-75-58(95)45(32-54(93)94)79-64(101)50-19-13-27-87(50)68(105)46(80-62(48)99)31-40-16-9-8-10-17-40/h8-10,16-17,22-25,37-39,43-52,55-57,90-91H,6-7,11-15,18-21,26-36,72H2,1-5H3,(H,75,95)(H,77,92)(H,78,104)(H,79,101)(H,80,99)(H,81,96)(H,82,97)(H,83,103)(H,84,102)(H,85,98)(H,86,100)(H,93,94)(H4,73,74,76)/t37-,38-,39+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-,57-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
9.00E+4 -22.9n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21744
PNG
(2-[(1S,7S,10S,13S,16S,22S,25S,31S,34S,37S,40S,43S,...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC1=O)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H106N18O20/c1-6-35(3)51-62(101)79-43(32-86)57(96)76-42(29-38-17-9-8-10-18-38)64(103)83-26-14-21-46(83)60(99)75-41(30-50(91)92)54(93)72-31-49(90)73-39(20-13-25-71-67(69)70)55(94)77-45(34-88)59(98)82-53(37(5)89)63(102)74-40(19-11-12-24-68)56(95)78-44(33-87)58(97)81-52(36(4)7-2)66(105)85-28-16-23-48(85)65(104)84-27-15-22-47(84)61(100)80-51/h8-10,17-18,35-37,39-48,51-53,86-89H,6-7,11-16,19-34,68H2,1-5H3,(H,72,93)(H,73,90)(H,74,102)(H,75,99)(H,76,96)(H,77,94)(H,78,95)(H,79,101)(H,80,100)(H,81,97)(H,82,98)(H,91,92)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.07E+5 -22.4n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM21740
PNG
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C66H102N18O18S2/c1-6-34(3)50-61(98)78-43-32-103-104-33-44(77-54(91)38(19-12-24-70-66(68)69)72-48(87)30-71-53(90)40(29-49(88)89)74-59(96)45-20-13-25-82(45)63(100)41(75-57(43)94)28-37-16-9-8-10-17-37)58(95)81-52(36(5)86)62(99)73-39(18-11-23-67)55(92)76-42(31-85)56(93)80-51(35(4)7-2)65(102)84-27-15-22-47(84)64(101)83-26-14-21-46(83)60(97)79-50/h8-10,16-17,34-36,38-47,50-52,85-86H,6-7,11-15,18-33,67H2,1-5H3,(H,71,90)(H,72,87)(H,73,99)(H,74,96)(H,75,94)(H,76,92)(H,77,91)(H,78,98)(H,79,97)(H,80,93)(H,81,95)(H,88,89)(H4,68,69,70)/t34-,35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-,51-,52-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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Article
PubMed
>2.50E+5>-20.4n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair