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Articleid 50030087

Compile data set for download or QSAR
Found 37 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
Serine protease 1


(Bos taurus (bovine))		BDBM50290996
PNG
(3-tert-Butoxycarbonylamino-4-[2-(4-guanidino-1-phe...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C(=O)N1CCCC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H43N7O8/c1-29(2,3)44-28(43)35-20(17-22(37)38)26(42)36-16-8-12-21(36)24(40)34-19(11-7-14-33-27(30)31)23(39)25(41)32-15-13-18-9-5-4-6-10-18/h4-6,9-10,19-21H,7-8,11-17H2,1-3H3,(H,32,41)(H,34,40)(H,35,43)(H,37,38)(H4,30,31,33)/t19-,20-,21?/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50290996
PNG
(3-tert-Butoxycarbonylamino-4-[2-(4-guanidino-1-phe...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C(=O)N1CCCC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H43N7O8/c1-29(2,3)44-28(43)35-20(17-22(37)38)26(42)36-16-8-12-21(36)24(40)34-19(11-7-14-33-27(30)31)23(39)25(41)32-15-13-18-9-5-4-6-10-18/h4-6,9-10,19-21H,7-8,11-17H2,1-3H3,(H,32,41)(H,34,40)(H,35,43)(H,37,38)(H4,30,31,33)/t19-,20-,21?/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50290993
PNG
(2-(N'-Acetyl-N-benzyl-hydrazinocarbonyl)-cyclohexa...)
Show SMILES CC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H43N7O5/c1-22(40)38-39(21-24-13-6-3-7-14-24)31(44)26-16-9-8-15-25(26)29(42)37-27(17-10-19-36-32(33)34)28(41)30(43)35-20-18-23-11-4-2-5-12-23/h2-7,11-14,25-27H,8-10,15-21H2,1H3,(H,35,43)(H,37,42)(H,38,40)(H4,33,34,36)/t25-,26-,27+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50289433
PNG
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C1O)C(N)=N |r|
Show InChI InChI=1S/C22H32N6O4/c1-14(29)25-17(13-15-7-3-2-4-8-15)21(32)27-11-6-10-18(27)19(30)26-16-9-5-12-28(20(16)31)22(23)24/h2-4,7-8,16-18,20,31H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t16-,17+,18-,20?/m0/s1
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n/an/a 156n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50291000
PNG
(CHEMBL110631 | {N'-tert-Butoxycarbonyl-N-[2-(1-for...)
Show SMILES CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C23H40N6O7/c1-5-35-18(31)13-29(28-22(34)36-23(2,3)4)20(33)17-11-7-6-10-16(17)19(32)27-15(14-30)9-8-12-26-21(24)25/h14-17H,5-13H2,1-4H3,(H,27,32)(H,28,34)(H4,24,25,26)/t15-,16+,17+/m0/s1
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50290999
PNG
(CHEMBL322034 | {N'-tert-Butoxycarbonyl-N-[2-(4-gua...)
Show SMILES CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H49N7O8/c1-5-46-25(40)20-39(38-31(45)47-32(2,3)4)29(44)23-15-10-9-14-22(23)27(42)37-24(16-11-18-36-30(33)34)26(41)28(43)35-19-17-21-12-7-6-8-13-21/h6-8,12-13,22-24H,5,9-11,14-20H2,1-4H3,(H,35,43)(H,37,42)(H,38,45)(H4,33,34,36)/t22-,23-,24+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50290994
PNG
(CHEMBL432019 | N'-Benzyl-N'-[2-(4-guanidino-1-phen...)
Show SMILES CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C35H49N7O6/c1-35(2,3)48-34(47)41-42(23-25-15-8-5-9-16-25)32(46)27-18-11-10-17-26(27)30(44)40-28(19-12-21-39-33(36)37)29(43)31(45)38-22-20-24-13-6-4-7-14-24/h4-9,13-16,26-28H,10-12,17-23H2,1-3H3,(H,38,45)(H,40,44)(H,41,47)(H4,36,37,39)/t26-,27-,28+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against human protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50289433
PNG
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C1O)C(N)=N |r|
Show InChI InChI=1S/C22H32N6O4/c1-14(29)25-17(13-15-7-3-2-4-8-15)21(32)27-11-6-10-18(27)19(30)26-16-9-5-12-28(20(16)31)22(23)24/h2-4,7-8,16-18,20,31H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t16-,17+,18-,20?/m0/s1
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n/an/a 284n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50290998
PNG
(CHEMBL109044 | {N'-Acetyl-N-[2-(1-formyl-4-guanidi...)
Show SMILES CCOC(=O)CN(NC(C)=O)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C20H34N6O6/c1-3-32-17(29)11-26(25-13(2)28)19(31)16-9-5-4-8-15(16)18(30)24-14(12-27)7-6-10-23-20(21)22/h12,14-16H,3-11H2,1-2H3,(H,24,30)(H,25,28)(H4,21,22,23)/t14-,15+,16+/m0/s1
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n/an/a 590n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50290996
PNG
(3-tert-Butoxycarbonylamino-4-[2-(4-guanidino-1-phe...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C(=O)N1CCCC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H43N7O8/c1-29(2,3)44-28(43)35-20(17-22(37)38)26(42)36-16-8-12-21(36)24(40)34-19(11-7-14-33-27(30)31)23(39)25(41)32-15-13-18-9-5-4-6-10-18/h4-6,9-10,19-21H,7-8,11-17H2,1-3H3,(H,32,41)(H,34,40)(H,35,43)(H,37,38)(H4,30,31,33)/t19-,20-,21?/m0/s1
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n/an/a 698n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against Coagulation factor X

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50290996
PNG
(3-tert-Butoxycarbonylamino-4-[2-(4-guanidino-1-phe...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C(=O)N1CCCC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H43N7O8/c1-29(2,3)44-28(43)35-20(17-22(37)38)26(42)36-16-8-12-21(36)24(40)34-19(11-7-14-33-27(30)31)23(39)25(41)32-15-13-18-9-5-4-6-10-18/h4-6,9-10,19-21H,7-8,11-17H2,1-3H3,(H,32,41)(H,34,40)(H,35,43)(H,37,38)(H4,30,31,33)/t19-,20-,21?/m0/s1
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n/an/a 706n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50290994
PNG
(CHEMBL432019 | N'-Benzyl-N'-[2-(4-guanidino-1-phen...)
Show SMILES CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C35H49N7O6/c1-35(2,3)48-34(47)41-42(23-25-15-8-5-9-16-25)32(46)27-18-11-10-17-26(27)30(44)40-28(19-12-21-39-33(36)37)29(43)31(45)38-22-20-24-13-6-4-7-14-24/h4-9,13-16,26-28H,10-12,17-23H2,1-3H3,(H,38,45)(H,40,44)(H,41,47)(H4,36,37,39)/t26-,27-,28+/m1/s1
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n/an/a 880n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50291003
PNG
(CHEMBL326462 | {N'-tert-Butoxycarbonyl-N-[2-(4-gua...)
Show SMILES COC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C31H47N7O8/c1-31(2,3)46-30(44)37-38(19-24(39)45-4)28(43)22-14-9-8-13-21(22)26(41)36-23(15-10-17-35-29(32)33)25(40)27(42)34-18-16-20-11-6-5-7-12-20/h5-7,11-12,21-23H,8-10,13-19H2,1-4H3,(H,34,42)(H,36,41)(H,37,44)(H4,32,33,35)/t21-,22-,23+/m1/s1
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n/an/a 1.31E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50289433
PNG
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C1O)C(N)=N |r|
Show InChI InChI=1S/C22H32N6O4/c1-14(29)25-17(13-15-7-3-2-4-8-15)21(32)27-11-6-10-18(27)19(30)26-16-9-5-12-28(20(16)31)22(23)24/h2-4,7-8,16-18,20,31H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t16-,17+,18-,20?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against Coagulation factor X

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50291001
PNG
(2-(N'-Acetyl-N-benzyl-hydrazinocarbonyl)-cyclohexa...)
Show SMILES CC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C23H34N6O4/c1-16(31)28-29(14-17-8-3-2-4-9-17)22(33)20-12-6-5-11-19(20)21(32)27-18(15-30)10-7-13-26-23(24)25/h2-4,8-9,15,18-20H,5-7,10-14H2,1H3,(H,27,32)(H,28,31)(H4,24,25,26)/t18-,19+,20+/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50291000
PNG
(CHEMBL110631 | {N'-tert-Butoxycarbonyl-N-[2-(1-for...)
Show SMILES CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C23H40N6O7/c1-5-35-18(31)13-29(28-22(34)36-23(2,3)4)20(33)17-11-7-6-10-16(17)19(32)27-15(14-30)9-8-12-26-21(24)25/h14-17H,5-13H2,1-4H3,(H,27,32)(H,28,34)(H4,24,25,26)/t15-,16+,17+/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50289433
PNG
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C1O)C(N)=N |r|
Show InChI InChI=1S/C22H32N6O4/c1-14(29)25-17(13-15-7-3-2-4-8-15)21(32)27-11-6-10-18(27)19(30)26-16-9-5-12-28(20(16)31)22(23)24/h2-4,7-8,16-18,20,31H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t16-,17+,18-,20?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against human protease enzyme plasmin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50290993
PNG
(2-(N'-Acetyl-N-benzyl-hydrazinocarbonyl)-cyclohexa...)
Show SMILES CC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H43N7O5/c1-22(40)38-39(21-24-13-6-3-7-14-24)31(44)26-16-9-8-15-25(26)29(42)37-27(17-10-19-36-32(33)34)28(41)30(43)35-20-18-23-11-4-2-5-12-23/h2-7,11-14,25-27H,8-10,15-21H2,1H3,(H,35,43)(H,37,42)(H,38,40)(H4,33,34,36)/t25-,26-,27+/m1/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against human protease enzyme plasmin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50290999
PNG
(CHEMBL322034 | {N'-tert-Butoxycarbonyl-N-[2-(4-gua...)
Show SMILES CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H49N7O8/c1-5-46-25(40)20-39(38-31(45)47-32(2,3)4)29(44)23-15-10-9-14-22(23)27(42)37-24(16-11-18-36-30(33)34)26(41)28(43)35-19-17-21-12-7-6-8-13-21/h6-8,12-13,22-24H,5,9-11,14-20H2,1-4H3,(H,35,43)(H,37,42)(H,38,45)(H4,33,34,36)/t22-,23-,24+/m1/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50290995
PNG
(CHEMBL321444 | N'-Benzyl-N'-[2-(1-formyl-4-guanidi...)
Show SMILES CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C26H40N6O5/c1-26(2,3)37-25(36)31-32(16-18-10-5-4-6-11-18)23(35)21-14-8-7-13-20(21)22(34)30-19(17-33)12-9-15-29-24(27)28/h4-6,10-11,17,19-21H,7-9,12-16H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t19-,20+,21+/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50290995
PNG
(CHEMBL321444 | N'-Benzyl-N'-[2-(1-formyl-4-guanidi...)
Show SMILES CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C26H40N6O5/c1-26(2,3)37-25(36)31-32(16-18-10-5-4-6-11-18)23(35)21-14-8-7-13-20(21)22(34)30-19(17-33)12-9-15-29-24(27)28/h4-6,10-11,17,19-21H,7-9,12-16H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t19-,20+,21+/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50290996
PNG
(3-tert-Butoxycarbonylamino-4-[2-(4-guanidino-1-phe...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C(=O)N1CCCC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H43N7O8/c1-29(2,3)44-28(43)35-20(17-22(37)38)26(42)36-16-8-12-21(36)24(40)34-19(11-7-14-33-27(30)31)23(39)25(41)32-15-13-18-9-5-4-6-10-18/h4-6,9-10,19-21H,7-8,11-17H2,1-3H3,(H,32,41)(H,34,40)(H,35,43)(H,37,38)(H4,30,31,33)/t19-,20-,21?/m0/s1
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n/an/a 2.71E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against human protease enzyme plasmin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50290993
PNG
(2-(N'-Acetyl-N-benzyl-hydrazinocarbonyl)-cyclohexa...)
Show SMILES CC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H43N7O5/c1-22(40)38-39(21-24-13-6-3-7-14-24)31(44)26-16-9-8-15-25(26)29(42)37-27(17-10-19-36-32(33)34)28(41)30(43)35-20-18-23-11-4-2-5-12-23/h2-7,11-14,25-27H,8-10,15-21H2,1H3,(H,35,43)(H,37,42)(H,38,40)(H4,33,34,36)/t25-,26-,27+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50289433
PNG
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C1O)C(N)=N |r|
Show InChI InChI=1S/C22H32N6O4/c1-14(29)25-17(13-15-7-3-2-4-8-15)21(32)27-11-6-10-18(27)19(30)26-16-9-5-12-28(20(16)31)22(23)24/h2-4,7-8,16-18,20,31H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t16-,17+,18-,20?/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50290997
PNG
(2-[N'-Acetyl-N-(3-phenyl-propyl)-hydrazinocarbonyl...)
Show SMILES CC(=O)NN(CCCc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O4/c1-18(33)30-31(16-8-11-19-9-3-2-4-10-19)24(35)22-14-6-5-13-21(22)23(34)29-20(17-32)12-7-15-28-25(26)27/h2-4,9-10,17,20-22H,5-8,11-16H2,1H3,(H,29,34)(H,30,33)(H4,26,27,28)/t20-,21+,22+/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against human protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50290993
PNG
(2-(N'-Acetyl-N-benzyl-hydrazinocarbonyl)-cyclohexa...)
Show SMILES CC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H43N7O5/c1-22(40)38-39(21-24-13-6-3-7-14-24)31(44)26-16-9-8-15-25(26)29(42)37-27(17-10-19-36-32(33)34)28(41)30(43)35-20-18-23-11-4-2-5-12-23/h2-7,11-14,25-27H,8-10,15-21H2,1H3,(H,35,43)(H,37,42)(H,38,40)(H4,33,34,36)/t25-,26-,27+/m1/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50290997
PNG
(2-[N'-Acetyl-N-(3-phenyl-propyl)-hydrazinocarbonyl...)
Show SMILES CC(=O)NN(CCCc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O4/c1-18(33)30-31(16-8-11-19-9-3-2-4-10-19)24(35)22-14-6-5-13-21(22)23(34)29-20(17-32)12-7-15-28-25(26)27/h2-4,9-10,17,20-22H,5-8,11-16H2,1H3,(H,29,34)(H,30,33)(H4,26,27,28)/t20-,21+,22+/m0/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50291002
PNG
(CHEMBL109050 | [N-[2-(4-Guanidino-1-phenethylamino...)
Show SMILES CCCC(CCC)C(=O)NN(CC(=O)OCC)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C35H55N7O7/c1-4-13-25(14-5-2)31(45)41-42(23-29(43)49-6-3)34(48)27-18-11-10-17-26(27)32(46)40-28(19-12-21-39-35(36)37)30(44)33(47)38-22-20-24-15-8-7-9-16-24/h7-9,15-16,25-28H,4-6,10-14,17-23H2,1-3H3,(H,38,47)(H,40,46)(H,41,45)(H4,36,37,39)/t26-,27-,28+/m1/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50291003
PNG
(CHEMBL326462 | {N'-tert-Butoxycarbonyl-N-[2-(4-gua...)
Show SMILES COC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C31H47N7O8/c1-31(2,3)46-30(44)37-38(19-24(39)45-4)28(43)22-14-9-8-13-21(22)26(41)36-23(15-10-17-35-29(32)33)25(40)27(42)34-18-16-20-11-6-5-7-12-20/h5-7,11-12,21-23H,8-10,13-19H2,1-4H3,(H,34,42)(H,36,41)(H,37,44)(H4,32,33,35)/t21-,22-,23+/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50291000
PNG
(CHEMBL110631 | {N'-tert-Butoxycarbonyl-N-[2-(1-for...)
Show SMILES CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C23H40N6O7/c1-5-35-18(31)13-29(28-22(34)36-23(2,3)4)20(33)17-11-7-6-10-16(17)19(32)27-15(14-30)9-8-12-26-21(24)25/h14-17H,5-13H2,1-4H3,(H,27,32)(H,28,34)(H4,24,25,26)/t15-,16+,17+/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50290998
PNG
(CHEMBL109044 | {N'-Acetyl-N-[2-(1-formyl-4-guanidi...)
Show SMILES CCOC(=O)CN(NC(C)=O)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C20H34N6O6/c1-3-32-17(29)11-26(25-13(2)28)19(31)16-9-5-4-8-15(16)18(30)24-14(12-27)7-6-10-23-20(21)22/h12,14-16H,3-11H2,1-2H3,(H,24,30)(H,25,28)(H4,21,22,23)/t14-,15+,16+/m0/s1
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n/an/a 2.21E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50291002
PNG
(CHEMBL109050 | [N-[2-(4-Guanidino-1-phenethylamino...)
Show SMILES CCCC(CCC)C(=O)NN(CC(=O)OCC)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C35H55N7O7/c1-4-13-25(14-5-2)31(45)41-42(23-29(43)49-6-3)34(48)27-18-11-10-17-26(27)32(46)40-28(19-12-21-39-35(36)37)30(44)33(47)38-22-20-24-15-8-7-9-16-24/h7-9,15-16,25-28H,4-6,10-14,17-23H2,1-3H3,(H,38,47)(H,40,46)(H,41,45)(H4,36,37,39)/t26-,27-,28+/m1/s1
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n/an/a 2.22E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50% inhibitory concentration against human protease enzyme trypsin

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50290998
PNG
(CHEMBL109044 | {N'-Acetyl-N-[2-(1-formyl-4-guanidi...)
Show SMILES CCOC(=O)CN(NC(C)=O)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C20H34N6O6/c1-3-32-17(29)11-26(25-13(2)28)19(31)16-9-5-4-8-15(16)18(30)24-14(12-27)7-6-10-23-20(21)22/h12,14-16H,3-11H2,1-2H3,(H,24,30)(H,25,28)(H4,21,22,23)/t14-,15+,16+/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50290997
PNG
(2-[N'-Acetyl-N-(3-phenyl-propyl)-hydrazinocarbonyl...)
Show SMILES CC(=O)NN(CCCc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O4/c1-18(33)30-31(16-8-11-19-9-3-2-4-10-19)24(35)22-14-6-5-13-21(22)23(34)29-20(17-32)12-7-15-28-25(26)27/h2-4,9-10,17,20-22H,5-8,11-16H2,1H3,(H,29,34)(H,30,33)(H4,26,27,28)/t20-,21+,22+/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50290999
PNG
(CHEMBL322034 | {N'-tert-Butoxycarbonyl-N-[2-(4-gua...)
Show SMILES CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H49N7O8/c1-5-46-25(40)20-39(38-31(45)47-32(2,3)4)29(44)23-15-10-9-14-22(23)27(42)37-24(16-11-18-36-30(33)34)26(41)28(43)35-19-17-21-12-7-6-8-13-21/h6-8,12-13,22-24H,5,9-11,14-20H2,1-4H3,(H,35,43)(H,37,42)(H,38,45)(H4,33,34,36)/t22-,23-,24+/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50291001
PNG
(2-(N'-Acetyl-N-benzyl-hydrazinocarbonyl)-cyclohexa...)
Show SMILES CC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C23H34N6O4/c1-16(31)28-29(14-17-8-3-2-4-9-17)22(33)20-12-6-5-11-19(20)21(32)27-18(15-30)10-7-13-26-23(24)25/h2-4,8-9,15,18-20H,5-7,10-14H2,1H3,(H,27,32)(H,28,31)(H4,24,25,26)/t18-,19+,20+/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))		BDBM50290995
PNG
(CHEMBL321444 | N'-Benzyl-N'-[2-(1-formyl-4-guanidi...)
Show SMILES CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C26H40N6O5/c1-26(2,3)37-25(36)31-32(16-18-10-5-4-6-11-18)23(35)21-14-8-7-13-20(21)22(34)30-19(17-33)12-9-15-29-24(27)28/h4-6,10-11,17,19-21H,7-9,12-16H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t19-,20+,21+/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII

Bioorg Med Chem Lett 7: 315-320 (1997)


Article DOI: 10.1016/S0960-894X(97)00005-X
BindingDB Entry DOI: 10.7270/Q22R3RNK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%