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PubMed code 15745817

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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
Tryptase


(Homo sapiens)
BDBM50162761
PNG
(CHEMBL180302 | [4-Guanidino-1-((S)-4-{(S)-5-[4-((S...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C31H51N11O6/c32-29(33)38-18-8-14-22(42-31(47)48-20-21-10-2-1-3-11-21)26(44)37-17-7-5-13-24-28(46)40-23(27(45)41-24)12-4-6-16-36-25(43)15-9-19-39-30(34)35/h1-3,10-11,22-24H,4-9,12-20H2,(H,36,43)(H,37,44)(H,40,46)(H,41,45)(H,42,47)(H4,32,33,38)(H4,34,35,39)/t22-,23-,24-/m0/s1
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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162770
PNG
(CHEMBL180281 | N-[4-Guanidino-1-((S)-4-{(S)-5-[4-(...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C30H49N11O5/c31-29(32)37-18-8-14-21(39-25(43)20-10-2-1-3-11-20)26(44)36-17-7-5-13-23-28(46)40-22(27(45)41-23)12-4-6-16-35-24(42)15-9-19-38-30(33)34/h1-3,10-11,21-23H,4-9,12-19H2,(H,35,42)(H,36,44)(H,39,43)(H,40,46)(H,41,45)(H4,31,32,37)(H4,33,34,38)/t21-,22-,23-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162764
PNG
(CHEMBL359680 | [1-((S)-4-{(S)-5-[4-((S)-(S)-2-Benz...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)NC1=O
Show InChI InChI=1S/C40H60N12O8/c41-37(42)47-23-11-19-29(51-39(57)59-25-27-13-3-1-4-14-27)33(53)45-21-9-7-17-31-35(55)50-32(36(56)49-31)18-8-10-22-46-34(54)30(20-12-24-48-38(43)44)52-40(58)60-26-28-15-5-2-6-16-28/h1-6,13-16,29-32H,7-12,17-26H2,(H,45,53)(H,46,54)(H,49,56)(H,50,55)(H,51,57)(H,52,58)(H4,41,42,47)(H4,43,44,48)/t29-,30-,31-,32-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162760
PNG
(4-Guanidino-N-[(S)-4-((S)-5-{4-[2-(2-imino-imidazo...)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CN2CCN=C2N)NC1=O
Show InChI InChI=1S/C25H38N10O4/c26-24(27)32-17-9-7-16(8-10-17)21(37)30-12-4-2-6-19-23(39)33-18(22(38)34-19)5-1-3-11-29-20(36)15-35-14-13-31-25(35)28/h7-10,18-19H,1-6,11-15H2,(H2,28,31)(H,29,36)(H,30,37)(H,33,39)(H,34,38)(H4,26,27,32)/t18-,19-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162758
PNG
(4-Guanidino-N-(4-{(S)-5-[4-((S)-4-guanidino-butyry...)
Show SMILES NC(=N)NCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C22H42N10O4/c23-21(24)29-13-5-9-17(33)27-11-3-1-7-15-19(35)32-16(20(36)31-15)8-2-4-12-28-18(34)10-6-14-30-22(25)26/h15-16H,1-14H2,(H,27,33)(H,28,34)(H,31,36)(H,32,35)(H4,23,24,29)(H4,25,26,30)/t15-,16-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162762
PNG
(CHEMBL181327 | [(S)-4-Guanidino-1-((S)-4-{(S)-5-[4...)
Show SMILES NC(=N)NCCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)NC1=O
Show InChI InChI=1S/C32H53N11O6/c33-30(34)39-19-9-6-16-26(44)37-17-7-4-13-24-28(46)42-25(29(47)41-24)14-5-8-18-38-27(45)23(15-10-20-40-31(35)36)43-32(48)49-21-22-11-2-1-3-12-22/h1-3,11-12,23-25H,4-10,13-21H2,(H,37,44)(H,38,45)(H,41,47)(H,42,46)(H,43,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,25-/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162763
PNG
(CHEMBL181685 | N-((S)-4-{5-[4-(3-Guanidino-propion...)
Show SMILES CN(CCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCNC(N)=N)NC1=O)C(N)=N
Show InChI InChI=1S/C21H40N10O4/c1-31(21(24)25)13-9-17(33)27-11-5-3-7-15-19(35)29-14(18(34)30-15)6-2-4-10-26-16(32)8-12-28-20(22)23/h14-15H,2-13H2,1H3,(H3,24,25)(H,26,32)(H,27,33)(H,29,35)(H,30,34)(H4,22,23,28)/t14-,15-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162759
PNG
(CHEMBL178315 | [1-(4-{(S)-5-[((S)-3-Carbamimidoyl-...)
Show SMILES NC(=N)NCCCC(NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2cccc(c2)C(N)=N)NC1=O
Show InChI InChI=1S/C38H46N10O6/c39-33(40)22-9-7-10-23(19-22)45-32(49)20-31-36(52)46-30(35(51)47-31)15-5-6-17-43-34(50)29(16-8-18-44-37(41)42)48-38(53)54-21-28-26-13-3-1-11-24(26)25-12-2-4-14-27(25)28/h1-4,7,9-14,19,28-31H,5-6,8,15-18,20-21H2,(H3,39,40)(H,43,50)(H,45,49)(H,46,52)(H,47,51)(H,48,53)(H4,41,42,44)/t29?,30-,31-/m0/s1
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n/an/a 9.09E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162765
PNG
((S)-N-[4-Guanidino-1-((S)-4-{(S)-5-[4-(5-guanidino...)
Show SMILES NC(=N)NCCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)c2ccccc2)NC1=O
Show InChI InChI=1S/C31H51N11O5/c32-30(33)38-19-9-6-16-25(43)36-17-7-4-13-23-28(46)42-24(29(47)41-23)14-5-8-18-37-27(45)22(15-10-20-39-31(34)35)40-26(44)21-11-2-1-3-12-21/h1-3,11-12,22-24H,4-10,13-20H2,(H,36,43)(H,37,45)(H,40,44)(H,41,47)(H,42,46)(H4,32,33,38)(H4,34,35,39)/t22-,23-,24-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162769
PNG
(CHEMBL361835 | N-[(S)-1-(4-{(S)-5-[((S)-3-Carbamim...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2cccc(c2)C(N)=N)NC1=O
Show InChI InChI=1S/C30H40N10O5/c31-25(32)19-10-6-11-20(16-19)37-24(41)17-23-29(45)39-22(28(44)40-23)12-4-5-14-35-27(43)21(13-7-15-36-30(33)34)38-26(42)18-8-2-1-3-9-18/h1-3,6,8-11,16,21-23H,4-5,7,12-15,17H2,(H3,31,32)(H,35,43)(H,37,41)(H,38,42)(H,39,45)(H,40,44)(H4,33,34,36)/t21-,22-,23-/m0/s1
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n/an/a 1.24E+4n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162766
PNG
(CHEMBL181467 | N-((S)-4-{(S)-5-[(3-Carbamimidoyl-p...)
Show SMILES CN(CCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2cccc(c2)C(N)=N)NC1=O)C(N)=N
Show InChI InChI=1S/C22H33N9O4/c1-31(22(25)26)10-8-17(32)27-9-3-2-7-15-20(34)30-16(21(35)29-15)12-18(33)28-14-6-4-5-13(11-14)19(23)24/h4-6,11,15-16H,2-3,7-10,12H2,1H3,(H3,23,24)(H3,25,26)(H,27,32)(H,28,33)(H,29,35)(H,30,34)/t15-,16-/m0/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162771
PNG
(CHEMBL181234 | N-(3-Carbamimidoyl-phenyl)-2-{(2S,5...)
Show SMILES NC(=N)NCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2cccc(c2)C(N)=N)NC1=O
Show InChI InChI=1S/C20H29N9O4/c21-17(22)11-4-3-5-12(8-11)27-15(30)9-14-19(33)28-13(18(32)29-14)6-1-2-7-25-16(31)10-26-20(23)24/h3-5,8,13-14H,1-2,6-7,9-10H2,(H3,21,22)(H,25,31)(H,27,30)(H,28,33)(H,29,32)(H4,23,24,26)/t13-,14-/m0/s1
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n/an/a 1.99E+4n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162768
PNG
(CHEMBL178777 | N-((S)-4-{(S)-5-[(3-Carbamimidoyl-p...)
Show SMILES NC(=N)NCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2cccc(c2)C(N)=N)NC1=O
Show InChI InChI=1S/C22H33N9O4/c23-19(24)13-5-3-6-14(11-13)29-18(33)12-16-21(35)30-15(20(34)31-16)7-1-2-9-27-17(32)8-4-10-28-22(25)26/h3,5-6,11,15-16H,1-2,4,7-10,12H2,(H3,23,24)(H,27,32)(H,29,33)(H,30,35)(H,31,34)(H4,25,26,28)/t15-,16-/m0/s1
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n/an/a 2.13E+4n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162767
PNG
(CHEMBL180850 | N-((S)-4-{(S)-5-[(3-Carbamimidoyl-p...)
Show SMILES NC(=N)NCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2cccc(c2)C(N)=N)NC1=O
Show InChI InChI=1S/C21H31N9O4/c22-18(23)12-4-3-5-13(10-12)28-17(32)11-15-20(34)29-14(19(33)30-15)6-1-2-8-26-16(31)7-9-27-21(24)25/h3-5,10,14-15H,1-2,6-9,11H2,(H3,22,23)(H,26,31)(H,28,32)(H,29,34)(H,30,33)(H4,24,25,27)/t14-,15-/m0/s1
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n/an/a 2.36E+4n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%