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PubMed code 10636229

Compile data set for download or QSAR
Found 27 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
Prothrombin


(Homo sapiens (Human))		BDBM50070599
PNG
(2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...)
Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)
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 1.30n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083968
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C(F)(F)F)c1 |w:8.8|
Show InChI InChI=1S/C18H19F3N4O4S/c1-12-9-13(28-8-4-7-24-25-17(22)23)11-14(10-12)29-30(26,27)16-6-3-2-5-15(16)18(19,20)21/h2-3,5-7,9-11H,4,8H2,1H3,(H4,22,23,25)
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 4.40n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083963
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc3cccnc23)c1 |w:8.8|
Show InChI InChI=1S/C20H21N5O4S/c1-14-11-16(28-10-4-9-24-25-20(21)22)13-17(12-14)29-30(26,27)18-7-2-5-15-6-3-8-23-19(15)18/h2-3,5-9,11-13H,4,10H2,1H3,(H4,21,22,25)
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 4.70n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083971
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCCC=NNC(N)=N)c1 |w:21.22|
Show InChI InChI=1S/C18H22N4O4S/c1-13-5-3-6-17(11-13)27(23,24)26-16-10-14(2)9-15(12-16)25-8-4-7-21-22-18(19)20/h3,5-7,9-12H,4,8H2,1-2H3,(H4,19,20,22)
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 6n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083969
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 |w:8.8|
Show InChI InChI=1S/C17H19ClN4O4S/c1-12-9-13(25-8-4-7-21-22-17(19)20)11-14(10-12)26-27(23,24)16-6-3-2-5-15(16)18/h2-3,5-7,9-11H,4,8H2,1H3,(H4,19,20,22)
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 8.30n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083967
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C#N)c1 |w:8.8|
Show InChI InChI=1S/C18H19N5O4S/c1-13-9-15(26-8-4-7-22-23-18(20)21)11-16(10-13)27-28(24,25)17-6-3-2-5-14(17)12-19/h2-3,5-7,9-11H,4,8H2,1H3,(H4,20,21,23)
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 9.10n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083966
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccc(Cl)s2)c1 |w:8.8|
Show InChI InChI=1S/C15H17ClN4O4S2/c1-10-7-11(23-6-2-5-19-20-15(17)18)9-12(8-10)24-26(21,22)14-4-3-13(16)25-14/h3-5,7-9H,2,6H2,1H3,(H4,17,18,20)
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 9.20n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083961
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1 |w:8.8|
Show InChI InChI=1S/C17H18Cl2N4O4S/c1-11-8-12(26-7-3-6-22-23-17(20)21)10-13(9-11)27-28(24,25)15-5-2-4-14(18)16(15)19/h2,4-6,8-10H,3,7H2,1H3,(H4,20,21,23)
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 9.40n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083957
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2OC(F)(F)F)c1 |w:8.8|
Show InChI InChI=1S/C18H19F3N4O5S/c1-12-9-13(28-8-4-7-24-25-17(22)23)11-14(10-12)30-31(26,27)16-6-3-2-5-15(16)29-18(19,20)21/h2-3,5-7,9-11H,4,8H2,1H3,(H4,22,23,25)
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 11n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083964
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCC=NNC(N)=N)c1 |w:22.23|
Show InChI InChI=1S/C18H22N4O5S/c1-13-10-14(26-9-5-8-21-22-18(19)20)12-15(11-13)27-28(23,24)17-7-4-3-6-16(17)25-2/h3-4,6-8,10-12H,5,9H2,1-2H3,(H4,19,20,22)
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 11n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083972
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 |w:8.8|
Show InChI InChI=1S/C18H22N4O6S2/c1-13-10-14(27-9-5-8-21-22-18(19)20)12-15(11-13)28-30(25,26)17-7-4-3-6-16(17)29(2,23)24/h3-4,6-8,10-12H,5,9H2,1-2H3,(H4,19,20,22)
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 20n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083956
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccnc2)c1 |w:8.8|
Show InChI InChI=1S/C16H19N5O4S/c1-12-8-13(24-7-3-6-20-21-16(17)18)10-14(9-12)25-26(22,23)15-4-2-5-19-11-15/h2,4-6,8-11H,3,7H2,1H3,(H4,17,18,21)
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 36n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083960
PNG
((2E)-2-({1-[(3-(2-cyanobenzenesulfonate)-5-methylp...)
Show SMILES Cc1cc(OCC2(CC2)C=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C#N)c1 |w:10.11|
Show InChI InChI=1S/C20H21N5O4S/c1-14-8-16(28-13-20(6-7-20)12-24-25-19(22)23)10-17(9-14)29-30(26,27)18-5-3-2-4-15(18)11-21/h2-5,8-10,12H,6-7,13H2,1H3,(H4,22,23,25)
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 40n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083962
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc3ccccc23)c1 |w:8.8|
Show InChI InChI=1S/C21H22N4O4S/c1-15-12-17(28-11-5-10-24-25-21(22)23)14-18(13-15)29-30(26,27)20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-10,12-14H,5,11H2,1H3,(H4,22,23,25)
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 44n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083970
PNG
((2E)-2-[3-(3-methyl-5-{[2-(trifluoromethyl)benzyl]...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OCc2ccccc2C(F)(F)F)c1 |w:8.8|
Show InChI InChI=1S/C19H21F3N4O2/c1-13-9-15(27-8-4-7-25-26-18(23)24)11-16(10-13)28-12-14-5-2-3-6-17(14)19(20,21)22/h2-3,5-7,9-11H,4,8,12H2,1H3,(H4,23,24,26)
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 420n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083959
PNG
(3-((4E)-4-{[(E)-amino(imino)methyl]hydrazono}butyl...)
Show SMILES COc1cc(CCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 |w:9.9|
Show InChI InChI=1S/C18H21ClN4O4S/c1-26-14-10-13(6-4-5-9-22-23-18(20)21)11-15(12-14)27-28(24,25)17-8-3-2-7-16(17)19/h2-3,7-12H,4-6H2,1H3,(H4,20,21,23)
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 990n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083965
PNG
(3-[((2E)-2-{[(E)-amino(imino)methyl]hydrazono}ethy...)
Show SMILES COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCC=NNC(N)=N)c1 |w:21.22|
Show InChI InChI=1S/C17H20N4O5S/c1-12-9-13(25-8-7-20-21-17(18)19)11-14(10-12)26-27(22,23)16-6-4-3-5-15(16)24-2/h3-7,9-11H,8H2,1-2H3,(H4,18,19,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50083958
PNG
(3-[((4E)-4-{[(E)-amino(imino)methyl]hydrazono}buty...)
Show SMILES COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCCC=NNC(N)=N)c1 |w:23.24|
Show InChI InChI=1S/C19H24N4O5S/c1-14-11-15(27-10-6-5-9-22-23-19(20)21)13-16(12-14)28-29(24,25)18-8-4-3-7-17(18)26-2/h3-4,7-9,11-13H,5-6,10H2,1-2H3,(H4,20,21,23)
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 1.30E+3n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50083959
PNG
(3-((4E)-4-{[(E)-amino(imino)methyl]hydrazono}butyl...)
Show SMILES COc1cc(CCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 |w:9.9|
Show InChI InChI=1S/C18H21ClN4O4S/c1-26-14-10-13(6-4-5-9-22-23-18(20)21)11-15(12-14)27-28(24,25)17-8-3-2-7-16(17)19/h2-3,7-12H,4-6H2,1H3,(H4,20,21,23)
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 1.37E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory constant against human Serine protease chymotrypsin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50083970
PNG
((2E)-2-[3-(3-methyl-5-{[2-(trifluoromethyl)benzyl]...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OCc2ccccc2C(F)(F)F)c1 |w:8.8|
Show InChI InChI=1S/C19H21F3N4O2/c1-13-9-15(27-8-4-7-25-26-18(23)24)11-16(10-13)28-12-14-5-2-3-6-17(14)19(20,21)22/h2-3,5-7,9-11H,4,8,12H2,1H3,(H4,23,24,26)
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 1.48E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human trypsin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50083960
PNG
((2E)-2-({1-[(3-(2-cyanobenzenesulfonate)-5-methylp...)
Show SMILES Cc1cc(OCC2(CC2)C=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C#N)c1 |w:10.11|
Show InChI InChI=1S/C20H21N5O4S/c1-14-8-16(28-13-20(6-7-20)12-24-25-19(22)23)10-17(9-14)29-30(26,27)18-5-3-2-4-15(18)11-21/h2-5,8-10,12H,6-7,13H2,1H3,(H4,22,23,25)
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 1.70E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human trypsin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50083971
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCCC=NNC(N)=N)c1 |w:21.22|
Show InChI InChI=1S/C18H22N4O4S/c1-13-5-3-6-17(11-13)27(23,24)26-16-10-14(2)9-15(12-16)25-8-4-7-21-22-18(19)20/h3,5-7,9-12H,4,8H2,1-2H3,(H4,19,20,22)
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 1.70E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human trypsin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50083963
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc3cccnc23)c1 |w:8.8|
Show InChI InChI=1S/C20H21N5O4S/c1-14-11-16(28-10-4-9-24-25-20(21)22)13-17(12-14)29-30(26,27)18-7-2-5-15-6-3-8-23-19(15)18/h2-3,5-9,11-13H,4,10H2,1H3,(H4,21,22,25)
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 2.30E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human trypsin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50083962
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc3ccccc23)c1 |w:8.8|
Show InChI InChI=1S/C21H22N4O4S/c1-15-12-17(28-11-5-10-24-25-21(22)23)14-18(13-15)29-30(26,27)20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-10,12-14H,5,11H2,1H3,(H4,22,23,25)
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 4.50E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human trypsin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50083957
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2OC(F)(F)F)c1 |w:8.8|
Show InChI InChI=1S/C18H19F3N4O5S/c1-12-9-13(28-8-4-7-24-25-17(22)23)11-14(10-12)30-31(26,27)16-6-3-2-5-15(16)29-18(19,20)21/h2-3,5-7,9-11H,4,8H2,1H3,(H4,22,23,25)
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 5.90E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human trypsin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50083958
PNG
(3-[((4E)-4-{[(E)-amino(imino)methyl]hydrazono}buty...)
Show SMILES COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCCC=NNC(N)=N)c1 |w:23.24|
Show InChI InChI=1S/C19H24N4O5S/c1-14-11-15(27-10-6-5-9-22-23-19(20)21)13-16(12-14)28-29(24,25)18-8-4-3-7-17(18)26-2/h3-4,7-9,11-13H,5-6,10H2,1-2H3,(H4,20,21,23)
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 6.70E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human trypsin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50083957
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2OC(F)(F)F)c1 |w:8.8|
Show InChI InChI=1S/C18H19F3N4O5S/c1-12-9-13(28-8-4-7-24-25-17(22)23)11-14(10-12)30-31(26,27)16-6-3-2-5-15(16)29-18(19,20)21/h2-3,5-7,9-11H,4,8H2,1H3,(H4,22,23,25)
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 8.80E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory constant against human Serine protease chymotrypsin

Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%