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12 similar compounds to monomer 50187177

Compile data set for download or QSAR
Wt: 613.6
BDBM14317
Wt: 599.6
BDBM14318
Wt: 587.6
BDBM14311
Wt: 627.6
BDBM14313
Wt: 592.0
BDBM50187160
Wt: 554.0
BDBM50187162
Wt: 610.0
BDBM50187166
Wt: 610.0
BDBM50187167
Wt: 608.5
BDBM50187168
Wt: 617.4
BDBM50410995
Wt: 599.4
BDBM50411006
Wt: 599.4
BDBM50411008

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 14317,14318,14311,14313,50187160,50187162,50187166,50187167,50187168,50410995,50411006,50411008   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187167
PNG
(CHEMBL211357 | N-[(S)-5-amino-1-(5-{4-[2-(3-chloro...)
Show SMILES NCCCC[C@H](NC(=O)c1cc(F)cc(F)c1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C31H30ClF2N5O4/c32-23-5-3-4-19(14-23)11-13-36-30(41)21-9-7-20(8-10-21)15-27-38-29(39-43-27)28(40)26(6-1-2-12-35)37-31(42)22-16-24(33)18-25(34)17-22/h3-5,7-10,14,16-18,26H,1-2,6,11-13,15,35H2,(H,36,41)(H,37,42)/t26-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187166
PNG
(CHEMBL380293 | N-[(S)-5-amino-1-(5-{4-[2-(3-chloro...)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C31H30ClF2N5O4/c32-23-5-3-4-19(16-23)13-15-36-30(41)21-9-7-20(8-10-21)17-27-38-29(39-43-27)28(40)26(6-1-2-14-35)37-31(42)22-11-12-24(33)25(34)18-22/h3-5,7-12,16,18,26H,1-2,6,13-15,17,35H2,(H,36,41)(H,37,42)/t26-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187160
PNG
(CHEMBL213928 | N-[(2S)-6-amino-1-{5-[(4-{[2-(3-chl...)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C31H31ClFN5O4/c32-24-5-3-4-20(18-24)15-17-35-30(40)22-9-7-21(8-10-22)19-27-37-29(38-42-27)28(39)26(6-1-2-16-34)36-31(41)23-11-13-25(33)14-12-23/h3-5,7-14,18,26H,1-2,6,15-17,19,34H2,(H,35,40)(H,36,41)/t26-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187168
PNG
(CHEMBL377656 | N-[(2S)-6-amino-1-{5-[(4-{[2-(3-chl...)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C31H31Cl2N5O4/c32-24-13-11-23(12-14-24)31(41)36-26(6-1-2-16-34)28(39)29-37-27(42-38-29)19-21-7-9-22(10-8-21)30(40)35-17-15-20-4-3-5-25(33)18-20/h3-5,7-14,18,26H,1-2,6,15-17,19,34H2,(H,35,40)(H,36,41)/t26-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187162
PNG
((S)-N-(3-chlorophenethyl)-4-((3-(6-amino-2-pivalam...)
Show SMILES CC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(cc2)C(=O)NCCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C29H36ClN5O4/c1-29(2,3)28(38)33-23(9-4-5-15-31)25(36)26-34-24(39-35-26)18-20-10-12-21(13-11-20)27(37)32-16-14-19-7-6-8-22(30)17-19/h6-8,10-13,17,23H,4-5,9,14-16,18,31H2,1-3H3,(H,32,37)(H,33,38)/t23-/m0/s1
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2n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50411006
PNG
(CHEMBL539088)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H29Cl2FN4O4/c31-24-13-6-20(17-25(24)32)14-16-40-23-11-4-19(5-12-23)18-27-36-29(37-41-27)28(38)26(3-1-2-15-34)35-30(39)21-7-9-22(33)10-8-21/h4-13,17,26H,1-3,14-16,18,34H2,(H,35,39)/t26-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of human B tryptase


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM14311
PNG
(CRA22 | N-[(2S)-6-amino-1-(5-{[4-(2,3-dihydro-1H-i...)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C32H31F2N5O4/c33-25-13-12-23(18-26(25)34)32(42)37-27(7-3-4-14-35)29(40)30-38-28(43-39-30)15-19-8-10-20(11-9-19)31(41)36-24-16-21-5-1-2-6-22(21)17-24/h1-2,5-6,8-13,18,24,27H,3-4,7,14-17,35H2,(H,36,41)(H,37,42)/t27-/m0/s1
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4n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50411008
PNG
(CHEMBL535836)
Show SMILES NCCCC[C@H](NC(=O)c1cccc(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H29Cl2FN4O4/c31-24-12-9-20(16-25(24)32)13-15-40-23-10-7-19(8-11-23)17-27-36-29(37-41-27)28(38)26(6-1-2-14-34)35-30(39)21-4-3-5-22(33)18-21/h3-5,7-12,16,18,26H,1-2,6,13-15,17,34H2,(H,35,39)/t26-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of human B tryptase


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of human B tryptase


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM14317
PNG
(CRA28 | N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-inden-2-y...)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C34H33F2N5O4/c35-27-11-10-25(18-28(27)36)34(44)39-29(12-7-21-13-14-37-19-21)31(42)32-40-30(45-41-32)15-20-5-8-22(9-6-20)33(43)38-26-16-23-3-1-2-4-24(23)17-26/h1-6,8-11,18,21,26,29,37H,7,12-17,19H2,(H,38,43)(H,39,44)/t21?,29-/m0/s1
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21n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase alpha/beta-1


(Mus musculus)
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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365n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of mouse tryptase


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Tryptase alpha/beta-1


(Mus musculus)
BDBM50411006
PNG
(CHEMBL539088)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H29Cl2FN4O4/c31-24-13-6-20(17-25(24)32)14-16-40-23-11-4-19(5-12-23)18-27-36-29(37-41-27)28(38)26(3-1-2-15-34)35-30(39)21-7-9-22(33)10-8-21/h4-13,17,26H,1-3,14-16,18,34H2,(H,35,39)/t26-/m0/s1
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365n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of mouse tryptase


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50411006
PNG
(CHEMBL539088)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H29Cl2FN4O4/c31-24-13-6-20(17-25(24)32)14-16-40-23-11-4-19(5-12-23)18-27-36-29(37-41-27)28(38)26(3-1-2-15-34)35-30(39)21-7-9-22(33)10-8-21/h4-13,17,26H,1-3,14-16,18,34H2,(H,35,39)/t26-/m0/s1
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400n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of monkey tryptase


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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400n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of monkey tryptase


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM14313
PNG
(CRA24 | N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-inden-2-y...)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CCNCC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C35H35F2N5O4/c36-28-11-10-26(20-29(28)37)35(45)40-30(12-7-21-13-15-38-16-14-21)32(43)33-41-31(46-42-33)17-22-5-8-23(9-6-22)34(44)39-27-18-24-3-1-2-4-25(24)19-27/h1-6,8-11,20-21,27,30,38H,7,12-19H2,(H,39,44)(H,40,45)/t30-/m0/s1
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430n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14311
PNG
(CRA22 | N-[(2S)-6-amino-1-(5-{[4-(2,3-dihydro-1H-i...)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C32H31F2N5O4/c33-25-13-12-23(18-26(25)34)32(42)37-27(7-3-4-14-35)29(40)30-38-28(43-39-30)15-19-8-10-20(11-9-19)31(41)36-24-16-21-5-1-2-6-22(21)17-24/h1-2,5-6,8-13,18,24,27H,3-4,7,14-17,35H2,(H,36,41)(H,37,42)/t27-/m0/s1
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530n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM14318
PNG
(CRA29 | N-[(2S)-4-(azetidin-3-yl)-1-(5-{[4-(2,3-di...)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C33H31F2N5O4/c34-26-11-10-24(16-27(26)35)33(43)38-28(12-7-20-17-36-18-20)30(41)31-39-29(44-40-31)13-19-5-8-21(9-6-19)32(42)37-25-14-22-3-1-2-4-23(22)15-25/h1-6,8-11,16,20,25,28,36H,7,12-15,17-18H2,(H,37,42)(H,38,43)/t28-/m0/s1
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590n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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910n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14317
PNG
(CRA28 | N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-inden-2-y...)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C34H33F2N5O4/c35-27-11-10-25(18-28(27)36)34(44)39-29(12-7-21-13-14-37-19-21)31(42)32-40-30(45-41-32)15-20-5-8-22(9-6-20)33(43)38-26-16-23-3-1-2-4-24(23)17-26/h1-6,8-11,18,21,26,29,37H,7,12-17,19H2,(H,38,43)(H,39,44)/t21?,29-/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14313
PNG
(CRA24 | N-[(2S)-1-(5-{[4-(2,3-dihydro-1H-inden-2-y...)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CCNCC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C35H35F2N5O4/c36-28-11-10-26(20-29(28)37)35(45)40-30(12-7-21-13-15-38-16-14-21)32(43)33-41-31(46-42-33)17-22-5-8-23(9-6-22)34(44)39-27-18-24-3-1-2-4-25(24)19-27/h1-6,8-11,20-21,27,30,38H,7,12-19H2,(H,39,44)(H,40,45)/t30-/m0/s1
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7.45E+4n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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8.30E+4n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of kallikrein


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of urokinase


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of factor 9a


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14318
PNG
(CRA29 | N-[(2S)-4-(azetidin-3-yl)-1-(5-{[4-(2,3-di...)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C33H31F2N5O4/c34-26-11-10-24(16-27(26)35)33(43)38-28(12-7-20-17-36-18-20)30(41)31-39-29(44-40-31)13-19-5-8-21(9-6-19)32(42)37-25-14-22-3-1-2-4-23(22)15-25/h1-6,8-11,16,20,25,28,36H,7,12-15,17-18H2,(H,37,42)(H,38,43)/t28-/m0/s1
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1.50E+5n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Biochemistry 45: 5964-73 (2006)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q2W09450
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of APC


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Granzyme K


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of granzyme K


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of factor 11a


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of chymase


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50410995
PNG
(CHEMBL536972)
Show SMILES NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
Show InChI InChI=1S/C30H28Cl2F2N4O4/c31-22-10-6-19(15-23(22)32)12-14-41-21-8-4-18(5-9-21)16-27-37-29(38-42-27)28(39)26(3-1-2-13-35)36-30(40)20-7-11-24(33)25(34)17-20/h4-11,15,17,26H,1-3,12-14,16,35H2,(H,36,40)/t26-/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair