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22 molecules are shown

Compile data set for download or QSAR
Wt: 537.8
BDBM17085
Wt: 567.9
BDBM17087
Wt: 439.7
BDBM17237
Wt: 524.8
BDBM17240
Wt: 551.9
BDBM17244
Wt: 551.9
BDBM17245
Wt: 567.9
BDBM17246
Wt: 551.9
BDBM17248
Wt: 565.8
BDBM17249
Wt: 540.9
BDBM17250
Wt: 554.8
BDBM17251
Wt: 512.8
BDBM17252
Wt: 542.8
BDBM17253
Wt: 542.8
BDBM17254
Wt: 556.8
BDBM17255
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 17085,17087,17237,17240,17244,17245,17246,17248,17249,17250,17251,17252,17253,17254,17255   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM17087
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl
Show InChI InChI=1S/C25H25Cl3N4O3S/c1-31-7-9-32(10-8-31)13-15-14-36-23(21(15)28)25(34)30-22-19(11-17(27)12-20(22)35-2)24(33)29-18-5-3-16(26)4-6-18/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,29,33)(H,30,34)
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0.430 -12.6n/an/an/an/an/a7.522



Berlex Biosciences



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


J Med Chem 50: 2967-80 (2007)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2J101F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17085
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C24H23Cl3N4O2S/c1-30-8-10-31(11-9-30)13-15-14-34-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14H,8-11,13H2,1H3,(H,28,32)(H,29,33)
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0.760 -12.3n/an/an/an/an/a7.522



Berlex Biosciences



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


J Med Chem 50: 2967-80 (2007)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2J101F5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM17252
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C22H20Cl3N3O3S/c1-28(8-9-29)11-13-12-32-20(19(13)25)22(31)27-18-7-4-15(24)10-17(18)21(30)26-16-5-2-14(23)3-6-16/h2-7,10,12,29H,8-9,11H2,1H3,(H,26,30)(H,27,31)
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0.800n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17085
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C24H23Cl3N4O2S/c1-30-8-10-31(11-9-30)13-15-14-34-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14H,8-11,13H2,1H3,(H,28,32)(H,29,33)
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1 -12.1n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM17253
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CC(O)CO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O4S/c1-29(10-17(31)11-30)9-13-12-34-21(20(13)26)23(33)28-19-7-4-15(25)8-18(19)22(32)27-16-5-2-14(24)3-6-16/h2-8,12,17,30-31H,9-11H2,1H3,(H,27,32)(H,28,33)
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1.40n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17255
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCOCCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H24Cl3N3O4S/c1-30(8-10-34-11-9-31)13-15-14-35-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14,31H,8-11,13H2,1H3,(H,28,32)(H,29,33)
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1.5n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17248
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CCN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H25Cl3N4O2S/c1-2-31-9-11-32(12-10-31)14-16-15-35-23(22(16)28)25(34)30-21-8-5-18(27)13-20(21)24(33)29-19-6-3-17(26)4-7-19/h3-8,13,15H,2,9-12,14H2,1H3,(H,29,33)(H,30,34)
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1.60n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17254
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES OCCOCCNCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O4S/c24-15-1-4-17(5-2-15)28-22(31)18-11-16(25)3-6-19(18)29-23(32)21-20(26)14(13-34-21)12-27-7-9-33-10-8-30/h1-6,11,13,27,30H,7-10,12H2,(H,28,31)(H,29,32)
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3.40n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17250
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(CN2CCSCC2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3N3O2S2/c24-15-1-4-17(5-2-15)27-22(30)18-11-16(25)3-6-19(18)28-23(31)21-20(26)14(13-33-21)12-29-7-9-32-10-8-29/h1-6,11,13H,7-10,12H2,(H,27,30)(H,28,31)
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4.80n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17251
PNG
(ethyl 2-({[4-chloro-5-({4-chloro-2-[(4-chloropheny...)
Show SMILES CCOC(=O)CN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H22Cl3N3O4S/c1-3-34-20(31)12-30(2)11-14-13-35-22(21(14)27)24(33)29-19-9-6-16(26)10-18(19)23(32)28-17-7-4-15(25)5-8-17/h4-10,13H,3,11-12H2,1-2H3,(H,28,32)(H,29,33)
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5.20n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17249
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CC(=O)N1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H23Cl3N4O3S/c1-15(33)32-10-8-31(9-11-32)13-16-14-36-23(22(16)28)25(35)30-21-7-4-18(27)12-20(21)24(34)29-19-5-2-17(26)3-6-19/h2-7,12,14H,8-11,13H2,1H3,(H,29,34)(H,30,35)
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6n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17240
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(CN2CCOCC2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3N3O3S/c24-15-1-4-17(5-2-15)27-22(30)18-11-16(25)3-6-19(18)28-23(31)21-20(26)14(13-33-21)12-29-7-9-32-10-8-29/h1-6,11,13H,7-10,12H2,(H,27,30)(H,28,31)
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6.20 -11.1n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17246
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CCCNCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CNCCC
Show InChI InChI=1S/C26H29Cl3N4O2S/c1-3-11-30-14-20-22(15-31-12-4-2)36-24(23(20)29)26(35)33-21-10-7-17(28)13-19(21)25(34)32-18-8-5-16(27)6-9-18/h5-10,13,30-31H,3-4,11-12,14-15H2,1-2H3,(H,32,34)(H,33,35)
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7.5n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17245
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c(Cl)c2C)CC1
Show InChI InChI=1S/C25H25Cl3N4O2S/c1-15-21(14-32-11-9-31(2)10-12-32)35-23(22(15)28)25(34)30-20-8-5-17(27)13-19(20)24(33)29-18-6-3-16(26)4-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,29,33)(H,30,34)
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10n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17244
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2c(C)sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H25Cl3N4O2S/c1-15-20(14-32-11-9-31(2)10-12-32)22(28)23(35-15)25(34)30-21-8-5-17(27)13-19(21)24(33)29-18-6-3-16(26)4-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,29,33)(H,30,34)
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12n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17237
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C19H13Cl3N2O2S/c1-10-9-27-17(16(10)22)19(26)24-15-7-4-12(21)8-14(15)18(25)23-13-5-2-11(20)3-6-13/h2-9H,1H3,(H,23,25)(H,24,26)
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18 -10.5n/an/an/an/an/a7.522



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17252
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C22H20Cl3N3O3S/c1-28(8-9-29)11-13-12-32-20(19(13)25)22(31)27-18-7-4-15(24)10-17(18)21(30)26-16-5-2-14(23)3-6-16/h2-7,10,12,29H,8-9,11H2,1H3,(H,26,30)(H,27,31)
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830n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17085
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C24H23Cl3N4O2S/c1-30-8-10-31(11-9-30)13-15-14-34-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14H,8-11,13H2,1H3,(H,28,32)(H,29,33)
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840n/an/an/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


J Med Chem 50: 2967-80 (2007)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2J101F5
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17085
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C24H23Cl3N4O2S/c1-30-8-10-31(11-9-30)13-15-14-34-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14H,8-11,13H2,1H3,(H,28,32)(H,29,33)
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910n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17253
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CC(O)CO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O4S/c1-29(10-17(31)11-30)9-13-12-34-21(20(13)26)23(33)28-19-7-4-15(25)8-18(19)22(32)27-16-5-2-14(24)3-6-16/h2-8,12,17,30-31H,9-11H2,1H3,(H,27,32)(H,28,33)
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990n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17255
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCOCCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H24Cl3N3O4S/c1-30(8-10-34-11-9-31)13-15-14-35-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14,31H,8-11,13H2,1H3,(H,28,32)(H,29,33)
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1.10E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17087
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl
Show InChI InChI=1S/C25H25Cl3N4O3S/c1-31-7-9-32(10-8-31)13-15-14-36-23(21(15)28)25(34)30-22-19(11-17(27)12-20(22)35-2)24(33)29-18-5-3-16(26)4-6-18/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,29,33)(H,30,34)
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1.30E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


J Med Chem 50: 2967-80 (2007)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2J101F5
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17245
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c(Cl)c2C)CC1
Show InChI InChI=1S/C25H25Cl3N4O2S/c1-15-21(14-32-11-9-31(2)10-12-32)35-23(22(15)28)25(34)30-20-8-5-17(27)13-19(20)24(33)29-18-6-3-16(26)4-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,29,33)(H,30,34)
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1.50E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17246
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CCCNCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CNCCC
Show InChI InChI=1S/C26H29Cl3N4O2S/c1-3-11-30-14-20-22(15-31-12-4-2)36-24(23(20)29)26(35)33-21-10-7-17(28)13-19(21)25(34)32-18-8-5-16(27)6-9-18/h5-10,13,30-31H,3-4,11-12,14-15H2,1-2H3,(H,32,34)(H,33,35)
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1.50E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17240
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(CN2CCOCC2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3N3O3S/c24-15-1-4-17(5-2-15)27-22(30)18-11-16(25)3-6-19(18)28-23(31)21-20(26)14(13-33-21)12-29-7-9-32-10-8-29/h1-6,11,13H,7-10,12H2,(H,27,30)(H,28,31)
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2.30E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17251
PNG
(ethyl 2-({[4-chloro-5-({4-chloro-2-[(4-chloropheny...)
Show SMILES CCOC(=O)CN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H22Cl3N3O4S/c1-3-34-20(31)12-30(2)11-14-13-35-22(21(14)27)24(33)29-19-9-6-16(26)10-18(19)23(32)28-17-7-4-15(25)5-8-17/h4-10,13H,3,11-12H2,1-2H3,(H,28,32)(H,29,33)
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2.30E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17254
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES OCCOCCNCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O4S/c24-15-1-4-17(5-2-15)28-22(31)18-11-16(25)3-6-19(18)29-23(32)21-20(26)14(13-34-21)12-27-7-9-33-10-8-30/h1-6,11,13,27,30H,7-10,12H2,(H,28,31)(H,29,32)
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3.20E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17244
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2c(C)sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H25Cl3N4O2S/c1-15-20(14-32-11-9-31(2)10-12-32)22(28)23(35-15)25(34)30-21-8-5-17(27)13-19(21)24(33)29-18-6-3-16(26)4-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,29,33)(H,30,34)
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4.40E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17249
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CC(=O)N1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H23Cl3N4O3S/c1-15(33)32-10-8-31(9-11-32)13-16-14-36-23(22(16)28)25(35)30-21-7-4-18(27)12-20(21)24(34)29-19-5-2-17(26)3-6-19/h2-7,12,14H,8-11,13H2,1H3,(H,29,34)(H,30,35)
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4.40E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17237
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C19H13Cl3N2O2S/c1-10-9-27-17(16(10)22)19(26)24-15-7-4-12(21)8-14(15)18(25)23-13-5-2-11(20)3-6-13/h2-9H,1H3,(H,23,25)(H,24,26)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17255
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCOCCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H24Cl3N3O4S/c1-30(8-10-34-11-9-31)13-15-14-35-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14,31H,8-11,13H2,1H3,(H,28,32)(H,29,33)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17237
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C19H13Cl3N2O2S/c1-10-9-27-17(16(10)22)19(26)24-15-7-4-12(21)8-14(15)18(25)23-13-5-2-11(20)3-6-13/h2-9H,1H3,(H,23,25)(H,24,26)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17248
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CCN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H25Cl3N4O2S/c1-2-31-9-11-32(12-10-31)14-16-15-35-23(22(16)28)25(34)30-21-8-5-18(27)13-20(21)24(33)29-19-6-3-17(26)4-7-19/h3-8,13,15H,2,9-12,14H2,1H3,(H,29,33)(H,30,34)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17249
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CC(=O)N1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H23Cl3N4O3S/c1-15(33)32-10-8-31(9-11-32)13-16-14-36-23(22(16)28)25(35)30-21-7-4-18(27)12-20(21)24(34)29-19-5-2-17(26)3-6-19/h2-7,12,14H,8-11,13H2,1H3,(H,29,34)(H,30,35)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17250
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(CN2CCSCC2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3N3O2S2/c24-15-1-4-17(5-2-15)27-22(30)18-11-16(25)3-6-19(18)28-23(31)21-20(26)14(13-33-21)12-29-7-9-32-10-8-29/h1-6,11,13H,7-10,12H2,(H,27,30)(H,28,31)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17251
PNG
(ethyl 2-({[4-chloro-5-({4-chloro-2-[(4-chloropheny...)
Show SMILES CCOC(=O)CN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H22Cl3N3O4S/c1-3-34-20(31)12-30(2)11-14-13-35-22(21(14)27)24(33)29-19-9-6-16(26)10-18(19)23(32)28-17-7-4-15(25)5-8-17/h4-10,13H,3,11-12H2,1-2H3,(H,28,32)(H,29,33)
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>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17252
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C22H20Cl3N3O3S/c1-28(8-9-29)11-13-12-32-20(19(13)25)22(31)27-18-7-4-15(24)10-17(18)21(30)26-16-5-2-14(23)3-6-16/h2-7,10,12,29H,8-9,11H2,1H3,(H,26,30)(H,27,31)
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PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17240
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(CN2CCOCC2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3N3O3S/c24-15-1-4-17(5-2-15)27-22(30)18-11-16(25)3-6-19(18)28-23(31)21-20(26)14(13-33-21)12-29-7-9-32-10-8-29/h1-6,11,13H,7-10,12H2,(H,27,30)(H,28,31)
PDB
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PC sid
UniChem

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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17253
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CC(O)CO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O4S/c1-29(10-17(31)11-30)9-13-12-34-21(20(13)26)23(33)28-19-7-4-15(25)8-18(19)22(32)27-16-5-2-14(24)3-6-16/h2-8,12,17,30-31H,9-11H2,1H3,(H,27,32)(H,28,33)
PDB
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KEGG

UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem

Patents


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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17250
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(CN2CCSCC2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3N3O2S2/c24-15-1-4-17(5-2-15)27-22(30)18-11-16(25)3-6-19(18)28-23(31)21-20(26)14(13-33-21)12-29-7-9-32-10-8-29/h1-6,11,13H,7-10,12H2,(H,27,30)(H,28,31)
PDB

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GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17085
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C24H23Cl3N4O2S/c1-30-8-10-31(11-9-30)13-15-14-34-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14H,8-11,13H2,1H3,(H,28,32)(H,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17248
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CCN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H25Cl3N4O2S/c1-2-31-9-11-32(12-10-31)14-16-15-35-23(22(16)28)25(34)30-21-8-5-18(27)13-20(21)24(33)29-19-6-3-17(26)4-7-19/h3-8,13,15H,2,9-12,14H2,1H3,(H,29,33)(H,30,34)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair