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46 molecules are shown

Compile data set for download or QSAR
Wt: 538.8
BDBM17086
Wt: 568.9
BDBM17088
Wt: 485.7
BDBM17089
Wt: 499.7
BDBM17090
Wt: 513.8
BDBM17091
Wt: 527.8
BDBM17092
Wt: 527.8
BDBM17093
Wt: 541.8
BDBM17094
Wt: 555.8
BDBM17095
Wt: 539.8
BDBM17096
Wt: 569.8
BDBM17097
Wt: 543.8
BDBM17098
Wt: 557.8
BDBM17099
Wt: 557.8
BDBM17100
Wt: 571.9
BDBM17101
Displayed 1 to 15 (of 46 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 17086,17088,17089,17090,17091,17092,17093,17094,17095,17096,17097,17098,17099,17100,17101   
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))
BDBM17088
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl
Show InChI InChI=1S/C24H24Cl3N5O3S/c1-31-5-7-32(8-6-31)12-14-13-36-22(20(14)27)24(34)30-21-17(9-16(26)10-18(21)35-2)23(33)29-19-4-3-15(25)11-28-19/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,30,34)(H,28,29,33)
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0.160 -13.2n/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))
BDBM17099
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCCO)c1Cl
Show InChI InChI=1S/C23H23Cl3N4O4S/c1-30(6-3-7-31)11-13-12-35-21(19(13)26)23(33)29-20-16(8-15(25)9-17(20)34-2)22(32)28-18-5-4-14(24)10-27-18/h4-5,8-10,12,31H,3,6-7,11H2,1-2H3,(H,29,33)(H,27,28,32)
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0.180 -13.2n/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))
BDBM17090
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C20H17Cl3N4O3S/c1-24-7-10-9-31-18(16(10)23)20(29)27-17-13(5-12(22)6-14(17)30-2)19(28)26-15-4-3-11(21)8-25-15/h3-6,8-9,24H,7H2,1-2H3,(H,27,29)(H,25,26,28)
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0.210 -13.1n/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))
BDBM17093
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CCN(C)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C22H21Cl3N4O3S/c1-4-29(2)10-12-11-33-20(18(12)25)22(31)28-19-15(7-14(24)8-16(19)32-3)21(30)27-17-6-5-13(23)9-26-17/h5-9,11H,4,10H2,1-3H3,(H,28,31)(H,26,27,30)
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0.220 -13.0n/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))
BDBM17098
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCO)c1Cl
Show InChI InChI=1S/C22H21Cl3N4O4S/c1-29(5-6-30)10-12-11-34-20(18(12)25)22(32)28-19-15(7-14(24)8-16(19)33-2)21(31)27-17-4-3-13(23)9-26-17/h3-4,7-9,11,30H,5-6,10H2,1-2H3,(H,28,32)(H,26,27,31)
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0.240 -13.0n/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))
BDBM17094
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CCN(CC)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C23H23Cl3N4O3S/c1-4-30(5-2)11-13-12-34-21(19(13)26)23(32)29-20-16(8-15(25)9-17(20)33-3)22(31)28-18-7-6-14(24)10-27-18/h6-10,12H,4-5,11H2,1-3H3,(H,29,32)(H,27,28,31)
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0.320 -12.8n/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))
BDBM17086
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)c2Cl)CC1
Show InChI InChI=1S/C23H22Cl3N5O2S/c1-30-6-8-31(9-7-30)12-14-13-34-21(20(14)26)23(33)28-18-4-2-15(24)10-17(18)22(32)29-19-5-3-16(25)11-27-19/h2-5,10-11,13H,6-9,12H2,1H3,(H,28,33)(H,27,29,32)
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0.360 -12.7n/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))
BDBM17100
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(C)O)c1Cl
Show InChI InChI=1S/C23H23Cl3N4O4S/c1-12(31)9-30(2)10-13-11-35-21(19(13)26)23(33)29-20-16(6-15(25)7-17(20)34-3)22(32)28-18-5-4-14(24)8-27-18/h4-8,11-12,31H,9-10H2,1-3H3,(H,29,33)(H,27,28,32)
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0.400 -12.7n/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))
BDBM17091
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CCNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C21H19Cl3N4O3S/c1-3-25-8-11-10-32-19(17(11)24)21(30)28-18-14(6-13(23)7-15(18)31-2)20(29)27-16-5-4-12(22)9-26-16/h4-7,9-10,25H,3,8H2,1-2H3,(H,28,30)(H,26,27,29)
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0.400 -12.7n/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))
BDBM17096
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCCC2)c1Cl
Show InChI InChI=1S/C23H21Cl3N4O3S/c1-33-17-9-15(25)8-16(22(31)28-18-5-4-14(24)10-27-18)20(17)29-23(32)21-19(26)13(12-34-21)11-30-6-2-3-7-30/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,29,32)(H,27,28,31)
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0.520 -12.5n/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))
BDBM17101
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(C)(C)O)c1Cl
Show InChI InChI=1S/C24H25Cl3N4O4S/c1-24(2,34)12-31(3)10-13-11-36-21(19(13)27)23(33)30-20-16(7-15(26)8-17(20)35-4)22(32)29-18-6-5-14(25)9-28-18/h5-9,11,34H,10,12H2,1-4H3,(H,30,33)(H,28,29,32)
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0.710 -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
Coagulation factor X


(Homo sapiens (human))
BDBM17089
PNG
(4-(aminomethyl)-3-chloro-N-{4-chloro-2-[(5-chlorop...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN)c1Cl
Show InChI InChI=1S/C19H15Cl3N4O3S/c1-29-13-5-11(21)4-12(18(27)25-14-3-2-10(20)7-24-14)16(13)26-19(28)17-15(22)9(6-23)8-30-17/h2-5,7-8H,6,23H2,1H3,(H,26,28)(H,24,25,27)
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1 -12.1n/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))
BDBM17092
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CNC(C)C)c1Cl
Show InChI InChI=1S/C22H21Cl3N4O3S/c1-11(2)26-8-12-10-33-20(18(12)25)22(31)29-19-15(6-14(24)7-16(19)32-3)21(30)28-17-5-4-13(23)9-27-17/h4-7,9-11,26H,8H2,1-3H3,(H,29,31)(H,27,28,30)
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1.40 -11.9n/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))
BDBM17095
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCOCC2)c1Cl
Show InChI InChI=1S/C23H21Cl3N4O4S/c1-33-17-9-15(25)8-16(22(31)28-18-3-2-14(24)10-27-18)20(17)29-23(32)21-19(26)13(12-35-21)11-30-4-6-34-7-5-30/h2-3,8-10,12H,4-7,11H2,1H3,(H,29,32)(H,27,28,31)
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1.40 -11.9n/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
Factor Xa (fXa)


(Canis lupus familiaris (Dog))
BDBM17090
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C20H17Cl3N4O3S/c1-24-7-10-9-31-18(16(10)23)20(29)27-17-13(5-12(22)6-14(17)30-2)19(28)26-15-4-3-11(21)8-25-15/h3-6,8-9,24H,7H2,1-2H3,(H,27,29)(H,25,26,28)
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1.70n/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
Coagulation factor X


(Homo sapiens (human))
BDBM17097
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCC(O)CC2)c1Cl
Show InChI InChI=1S/C24H23Cl3N4O4S/c1-35-18-9-15(26)8-17(23(33)29-19-3-2-14(25)10-28-19)21(18)30-24(34)22-20(27)13(12-36-22)11-31-6-4-16(32)5-7-31/h2-3,8-10,12,16,32H,4-7,11H2,1H3,(H,30,34)(H,28,29,33)
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2.20 -11.7n/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


(Rattus norvegicus (rat))
BDBM17090
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C20H17Cl3N4O3S/c1-24-7-10-9-31-18(16(10)23)20(29)27-17-13(5-12(22)6-14(17)30-2)19(28)26-15-4-3-11(21)8-25-15/h3-6,8-9,24H,7H2,1-2H3,(H,27,29)(H,25,26,28)
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2.5 -11.6n/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
Prothrombin


(Homo sapiens (Human))
BDBM17086
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)c2Cl)CC1
Show InChI InChI=1S/C23H22Cl3N5O2S/c1-30-6-8-31(9-7-30)12-14-13-34-21(20(14)26)23(33)28-18-4-2-15(24)10-17(18)22(32)29-19-5-3-16(25)11-27-19/h2-5,10-11,13H,6-9,12H2,1H3,(H,28,33)(H,27,29,32)
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680n/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
Prothrombin


(Homo sapiens (Human))
BDBM17097
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCC(O)CC2)c1Cl
Show InChI InChI=1S/C24H23Cl3N4O4S/c1-35-18-9-15(26)8-17(23(33)29-19-3-2-14(25)10-28-19)21(18)30-24(34)22-20(27)13(12-36-22)11-31-6-4-16(32)5-7-31/h2-3,8-10,12,16,32H,4-7,11H2,1H3,(H,30,34)(H,28,29,33)
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770n/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
Prothrombin


(Homo sapiens (Human))
BDBM17101
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(C)(C)O)c1Cl
Show InChI InChI=1S/C24H25Cl3N4O4S/c1-24(2,34)12-31(3)10-13-11-36-21(19(13)27)23(33)30-20-16(7-15(26)8-17(20)35-4)22(32)29-18-6-5-14(25)9-28-18/h5-9,11,34H,10,12H2,1-4H3,(H,30,33)(H,28,29,32)
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1.10E+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
Prothrombin


(Homo sapiens (Human))
BDBM17099
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCCO)c1Cl
Show InChI InChI=1S/C23H23Cl3N4O4S/c1-30(6-3-7-31)11-13-12-35-21(19(13)26)23(33)29-20-16(8-15(25)9-17(20)34-2)22(32)28-18-5-4-14(24)10-27-18/h4-5,8-10,12,31H,3,6-7,11H2,1-2H3,(H,29,33)(H,27,28,32)
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1.10E+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
Prothrombin


(Homo sapiens (Human))
BDBM17095
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCOCC2)c1Cl
Show InChI InChI=1S/C23H21Cl3N4O4S/c1-33-17-9-15(25)8-16(22(31)28-18-3-2-14(24)10-27-18)20(17)29-23(32)21-19(26)13(12-35-21)11-30-4-6-34-7-5-30/h2-3,8-10,12H,4-7,11H2,1H3,(H,29,32)(H,27,28,31)
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1.40E+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
Prothrombin


(Homo sapiens (Human))
BDBM17098
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCO)c1Cl
Show InChI InChI=1S/C22H21Cl3N4O4S/c1-29(5-6-30)10-12-11-34-20(18(12)25)22(32)28-19-15(7-14(24)8-16(19)33-2)21(31)27-17-4-3-13(23)9-26-17/h3-4,7-9,11,30H,5-6,10H2,1-2H3,(H,28,32)(H,26,27,31)
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1.40E+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
Prothrombin


(Homo sapiens (Human))
BDBM17096
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCCC2)c1Cl
Show InChI InChI=1S/C23H21Cl3N4O3S/c1-33-17-9-15(25)8-16(22(31)28-18-5-4-14(24)10-27-18)20(17)29-23(32)21-19(26)13(12-34-21)11-30-6-2-3-7-30/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,29,32)(H,27,28,31)
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1.40E+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
Prothrombin


(Homo sapiens (Human))
BDBM17088
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl
Show InChI InChI=1S/C24H24Cl3N5O3S/c1-31-5-7-32(8-6-31)12-14-13-36-22(20(14)27)24(34)30-21-17(9-16(26)10-18(21)35-2)23(33)29-19-4-3-15(25)11-28-19/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,30,34)(H,28,29,33)
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1.50E+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
Prothrombin


(Homo sapiens (Human))
BDBM17094
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CCN(CC)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C23H23Cl3N4O3S/c1-4-30(5-2)11-13-12-34-21(19(13)26)23(32)29-20-16(8-15(25)9-17(20)33-3)22(31)28-18-7-6-14(24)10-27-18/h6-10,12H,4-5,11H2,1-3H3,(H,29,32)(H,27,28,31)
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1.50E+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
Prothrombin


(Homo sapiens (Human))
BDBM17093
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CCN(C)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C22H21Cl3N4O3S/c1-4-29(2)10-12-11-33-20(18(12)25)22(31)28-19-15(7-14(24)8-16(19)32-3)21(30)27-17-6-5-13(23)9-26-17/h5-9,11H,4,10H2,1-3H3,(H,28,31)(H,26,27,30)
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1.70E+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
Prothrombin


(Homo sapiens (Human))
BDBM17100
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(C)O)c1Cl
Show InChI InChI=1S/C23H23Cl3N4O4S/c1-12(31)9-30(2)10-13-11-35-21(19(13)26)23(33)29-20-16(6-15(25)7-17(20)34-3)22(32)28-18-5-4-14(24)8-27-18/h4-8,11-12,31H,9-10H2,1-3H3,(H,29,33)(H,27,28,32)
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2.10E+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
Prothrombin


(Homo sapiens (Human))
BDBM17091
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CCNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C21H19Cl3N4O3S/c1-3-25-8-11-10-32-19(17(11)24)21(30)28-18-14(6-13(23)7-15(18)31-2)20(29)27-16-5-4-12(22)9-26-16/h4-7,9-10,25H,3,8H2,1-2H3,(H,28,30)(H,26,27,29)
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2.60E+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
Prothrombin


(Homo sapiens (Human))
BDBM17090
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C20H17Cl3N4O3S/c1-24-7-10-9-31-18(16(10)23)20(29)27-17-13(5-12(22)6-14(17)30-2)19(28)26-15-4-3-11(21)8-25-15/h3-6,8-9,24H,7H2,1-2H3,(H,27,29)(H,25,26,28)
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3.70E+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
Prothrombin


(Homo sapiens (Human))
BDBM17089
PNG
(4-(aminomethyl)-3-chloro-N-{4-chloro-2-[(5-chlorop...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN)c1Cl
Show InChI InChI=1S/C19H15Cl3N4O3S/c1-29-13-5-11(21)4-12(18(27)25-14-3-2-10(20)7-24-14)16(13)26-19(28)17-15(22)9(6-23)8-30-17/h2-5,7-8H,6,23H2,1H3,(H,26,28)(H,24,25,27)
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>5.00E+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
Prothrombin


(Homo sapiens (Human))
BDBM17092
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CNC(C)C)c1Cl
Show InChI InChI=1S/C22H21Cl3N4O3S/c1-11(2)26-8-12-10-33-20(18(12)25)22(31)29-19-15(6-14(24)7-16(19)32-3)21(30)28-17-5-4-13(23)9-27-17/h4-7,9-11,26H,8H2,1-3H3,(H,29,31)(H,27,28,30)
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5.40E+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
Trypsin


(Bos taurus (bovine))
BDBM17090
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES CNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C20H17Cl3N4O3S/c1-24-7-10-9-31-18(16(10)23)20(29)27-17-13(5-12(22)6-14(17)30-2)19(28)26-15-4-3-11(21)8-25-15/h3-6,8-9,24H,7H2,1-2H3,(H,27,29)(H,25,26,28)
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>1.00E+4n/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