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PubMed code 9876114

Compile data set for download or QSAR
Found 111 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


(Bos taurus (Bovine))		BDBM50072840
PNG
(CHEMBL346607 | N-[1-(4-Diaminomethyl-benzyl)-2-oxo...)
Show SMILES NC(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H33N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,26,30H,1,4-5,14-16,18,28-29H2,(H,31,33)
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 6n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50060033
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-18-11-13-30(14-12-18)26(31)24(16-19-5-4-8-22(15-19)25(27)28)29-34(32,33)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17-18,24,29H,11-14,16H2,1H3,(H3,27,28)
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 6.20n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072851
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H32N4O5S/c1-2-37-28(34)21-12-14-32(15-13-21)27(33)25(17-19-6-5-9-23(16-19)26(29)30)31-38(35,36)24-11-10-20-7-3-4-8-22(20)18-24/h3-11,16,18,21,25,31H,2,12-15,17H2,1H3,(H3,29,30)
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 8.40n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072843
PNG
(2,7-Bis-(4-diaminomethyl-benzylidene)-cycloheptano...)
Show SMILES NC(N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)N)C2=O)cc1
Show InChI InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14,22-23H,1-4,24-27H2/b19-13+,20-14+
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 13n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072846
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-1-su...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H30N4O3S/c1-18-12-14-30(15-13-18)26(31)23(17-19-6-4-9-21(16-19)25(27)28)29-34(32,33)24-11-5-8-20-7-2-3-10-22(20)24/h2-11,16,18,23,29H,12-15,17H2,1H3,(H3,27,28)
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 16n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072854
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES COC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)
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 17n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072856
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(toluene-4-...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H30N4O3S/c1-16-6-8-20(9-7-16)31(29,30)26-21(23(28)27-12-10-17(2)11-13-27)15-18-4-3-5-19(14-18)22(24)25/h3-9,14,17,21,26H,10-13,15H2,1-2H3,(H3,24,25)
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 26n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072847
PNG
(3-[2-(9,10-Dioxo-9,10-dihydro-anthracene-2-sulfony...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C30H30N4O5S/c1-18-11-13-34(14-12-18)30(37)26(16-19-5-4-6-20(15-19)29(31)32)33-40(38,39)21-9-10-24-25(17-21)28(36)23-8-3-2-7-22(23)27(24)35/h2-10,15,17-18,26,33H,11-14,16H2,1H3,(H3,31,32)
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 26n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50060047
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-(4-phen...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)
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 27n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50072843
PNG
(2,7-Bis-(4-diaminomethyl-benzylidene)-cycloheptano...)
Show SMILES NC(N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)N)C2=O)cc1
Show InChI InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14,22-23H,1-4,24-27H2/b19-13+,20-14+
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 35n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072854
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES COC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)
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 36n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine protease 1


(Bos taurus (bovine))		BDBM50072853
PNG
(4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H49N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,30,35H,8,12-15,17,33-34H2,1-7H3
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 37n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072859
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trim...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H34N4O3S/c1-16-8-10-29(11-9-16)25(30)22(15-20-6-5-7-21(14-20)24(26)27)28-33(31,32)23-18(3)12-17(2)13-19(23)4/h5-7,12-14,16,22,28H,8-11,15H2,1-4H3,(H3,26,27)
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 59n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50060049
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperid...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3S/c26-24(27)21-10-6-7-18(15-21)16-23(25(30)29-13-4-1-5-14-29)28-33(31,32)22-12-11-19-8-2-3-9-20(19)17-22/h2-3,6-12,15,17,23,28H,1,4-5,13-14,16H2,(H3,26,27)
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 65n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072847
PNG
(3-[2-(9,10-Dioxo-9,10-dihydro-anthracene-2-sulfony...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C30H30N4O5S/c1-18-11-13-34(14-12-18)30(37)26(16-19-5-4-6-20(15-19)29(31)32)33-40(38,39)21-9-10-24-25(17-21)28(36)23-8-3-2-7-22(23)27(24)35/h2-10,15,17-18,26,33H,11-14,16H2,1H3,(H3,31,32)
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 74n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072857
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C31H46N4O3S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)39(37,38)34-28(31(36)35-13-11-22(7)12-14-35)16-23-9-8-10-24(15-23)30(32)33/h8-10,15,17-22,28,34H,11-14,16H2,1-7H3,(H3,32,33)
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 75n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072843
PNG
(2,7-Bis-(4-diaminomethyl-benzylidene)-cycloheptano...)
Show SMILES NC(N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)N)C2=O)cc1
Show InChI InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14,22-23H,1-4,24-27H2/b19-13+,20-14+
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 90n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072858
PNG
(3-[3-(3-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...)
Show SMILES CC1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-18-6-5-13-30(17-18)26(31)24(15-19-7-4-10-22(14-19)25(27)28)29-34(32,33)23-12-11-20-8-2-3-9-21(20)16-23/h2-4,7-12,14,16,18,24,29H,5-6,13,15,17H2,1H3,(H3,27,28)
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 130n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50060033
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-18-11-13-30(14-12-18)26(31)24(16-19-5-4-8-22(15-19)25(27)28)29-34(32,33)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17-18,24,29H,11-14,16H2,1H3,(H3,27,28)
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 140n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072850
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES COC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)22-10-5-13-31(17-22)26(32)24(15-18-6-4-9-21(14-18)25(28)29)30-37(34,35)23-12-11-19-7-2-3-8-20(19)16-23/h2-4,6-9,11-12,14,16,22,24,30H,5,10,13,15,17H2,1H3,(H3,28,29)
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 150n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072852
PNG
(4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H51N5O5S/c1-24(2)30-21-31(25(3)4)34(32(22-30)26(5)6)48(45,46)40-33(20-28-13-10-14-29(19-28)35(38)39)36(43)41-15-17-42(18-16-41)37(44)47-23-27-11-8-7-9-12-27/h7-14,19,21-22,24-26,33,35,40H,15-18,20,23,38-39H2,1-6H3
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 200n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072851
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H32N4O5S/c1-2-37-28(34)21-12-14-32(15-13-21)27(33)25(17-19-6-5-9-23(16-19)26(29)30)31-38(35,36)24-11-10-20-7-3-4-8-22(20)18-24/h3-11,16,18,21,25,31H,2,12-15,17H2,1H3,(H3,29,30)
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 220n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50060043
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperaz...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1
Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-7-3-4-17(14-20)15-22(24(30)29-12-10-27-11-13-29)28-33(31,32)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27-28H,10-13,15H2,(H3,25,26)
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 220n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Coagulation factor X


(Bos taurus)		BDBM50072841
PNG
(3-(3-Diaminomethyl-phenyl)-2-[2-(naphthalene-2-sul...)
Show SMILES CC(C)OC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H30N4O5S/c1-16(2)34-25(31)22(13-17-6-5-9-20(12-17)24(26)27)29-23(30)15-28-35(32,33)21-11-10-18-7-3-4-8-19(18)14-21/h3-12,14,16,22,24,28H,13,15,26-27H2,1-2H3,(H,29,30)
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 240n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072843
PNG
(2,7-Bis-(4-diaminomethyl-benzylidene)-cycloheptano...)
Show SMILES NC(N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)N)C2=O)cc1
Show InChI InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14,22-23H,1-4,24-27H2/b19-13+,20-14+
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 320n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50060049
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperid...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3S/c26-24(27)21-10-6-7-18(15-21)16-23(25(30)29-13-4-1-5-14-29)28-33(31,32)22-12-11-19-8-2-3-9-20(19)17-22/h2-3,6-12,15,17,23,28H,1,4-5,13-14,16H2,(H3,26,27)
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 330n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072842
PNG
(CHEMBL348266 | N-[1-(3-Diaminomethyl-benzyl)-2-oxo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H30N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20-21,25H,2-4,12-13,15,23-24H2,1H3
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 340n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072850
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES COC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)22-10-5-13-31(17-22)26(32)24(15-18-6-4-9-21(14-18)25(28)29)30-37(34,35)23-12-11-19-7-2-3-8-20(19)16-23/h2-4,6-9,11-12,14,16,22,24,30H,5,10,13,15,17H2,1H3,(H3,28,29)
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 390n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072853
PNG
(4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H49N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,30,35H,8,12-15,17,33-34H2,1-7H3
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 410n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072855
PNG
(1-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCC(C1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C38H53N5O4S/c1-24(2)31-20-32(25(3)4)35(33(21-31)26(5)6)48(46,47)42-34(19-28-14-10-15-29(18-28)36(39)40)38(45)43-17-11-16-30(23-43)37(44)41-22-27-12-8-7-9-13-27/h7-10,12-15,18,20-21,24-26,30,34,36,42H,11,16-17,19,22-23,39-40H2,1-6H3,(H,41,44)
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 460n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072853
PNG
(4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H49N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,30,35H,8,12-15,17,33-34H2,1-7H3
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 490n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50060043
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperaz...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1
Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-7-3-4-17(14-20)15-22(24(30)29-12-10-27-11-13-29)28-33(31,32)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27-28H,10-13,15H2,(H3,25,26)
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 500n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072856
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(toluene-4-...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H30N4O3S/c1-16-6-8-20(9-7-16)31(29,30)26-21(23(28)27-12-10-17(2)11-13-27)15-18-4-3-5-19(14-18)22(24)25/h3-9,14,17,21,26H,10-13,15H2,1-2H3,(H3,24,25)
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 520n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50060047
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-(4-phen...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)
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 520n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072858
PNG
(3-[3-(3-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...)
Show SMILES CC1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-18-6-5-13-30(17-18)26(31)24(15-19-7-4-10-22(14-19)25(27)28)29-34(32,33)23-12-11-20-8-2-3-9-21(20)16-23/h2-4,7-12,14,16,18,24,29H,5-6,13,15,17H2,1H3,(H3,27,28)
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 530n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50072853
PNG
(4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H49N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,30,35H,8,12-15,17,33-34H2,1-7H3
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 570n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072846
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-1-su...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H30N4O3S/c1-18-12-14-30(15-13-18)26(31)23(17-19-6-4-9-21(16-19)25(27)28)29-34(32,33)24-11-5-8-20-7-2-3-10-22(20)24/h2-11,16,18,23,29H,12-15,17H2,1H3,(H3,27,28)
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 630n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072840
PNG
(CHEMBL346607 | N-[1-(4-Diaminomethyl-benzyl)-2-oxo...)
Show SMILES NC(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H33N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,26,30H,1,4-5,14-16,18,28-29H2,(H,31,33)
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 690n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072857
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C31H46N4O3S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)39(37,38)34-28(31(36)35-13-11-22(7)12-14-35)16-23-9-8-10-24(15-23)30(32)33/h8-10,15,17-22,28,34H,11-14,16H2,1-7H3,(H3,32,33)
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 690n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072845
PNG
(3-(3-Diaminomethyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H26N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,19,23H,11-12,21-22H2,1-2H3,(H,24,25)
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 840n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50072852
PNG
(4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H51N5O5S/c1-24(2)30-21-31(25(3)4)34(32(22-30)26(5)6)48(45,46)40-33(20-28-13-10-14-29(19-28)35(38)39)36(43)41-15-17-42(18-16-41)37(44)47-23-27-11-8-7-9-12-27/h7-14,19,21-22,24-26,33,35,40H,15-18,20,23,38-39H2,1-6H3
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 950n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50072855
PNG
(1-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCC(C1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C38H53N5O4S/c1-24(2)31-20-32(25(3)4)35(33(21-31)26(5)6)48(46,47)42-34(19-28-14-10-15-29(18-28)36(39)40)38(45)43-17-11-16-30(23-43)37(44)41-22-27-12-8-7-9-13-27/h7-10,12-15,18,20-21,24-26,30,34,36,42H,11,16-17,19,22-23,39-40H2,1-6H3,(H,41,44)
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 980n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072852
PNG
(4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H51N5O5S/c1-24(2)30-21-31(25(3)4)34(32(22-30)26(5)6)48(45,46)40-33(20-28-13-10-14-29(19-28)35(38)39)36(43)41-15-17-42(18-16-41)37(44)47-23-27-11-8-7-9-12-27/h7-14,19,21-22,24-26,33,35,40H,15-18,20,23,38-39H2,1-6H3
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 1.10E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072841
PNG
(3-(3-Diaminomethyl-phenyl)-2-[2-(naphthalene-2-sul...)
Show SMILES CC(C)OC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H30N4O5S/c1-16(2)34-25(31)22(13-17-6-5-9-20(12-17)24(26)27)29-23(30)15-28-35(32,33)21-11-10-18-7-3-4-8-19(18)14-21/h3-12,14,16,22,24,28H,13,15,26-27H2,1-2H3,(H,29,30)
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 1.20E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072842
PNG
(CHEMBL348266 | N-[1-(3-Diaminomethyl-benzyl)-2-oxo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H30N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20-21,25H,2-4,12-13,15,23-24H2,1H3
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 1.20E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072844
PNG
(CHEMBL153334 | [1-(3-Carbamimidoyl-benzyl)-2-(4-me...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C21H32N4O3/c1-14-8-10-25(11-9-14)19(26)17(24-20(27)28-21(2,3)4)13-15-6-5-7-16(12-15)18(22)23/h5-7,12,14,17H,8-11,13H2,1-4H3,(H3,22,23)(H,24,27)
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 1.20E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072852
PNG
(4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H51N5O5S/c1-24(2)30-21-31(25(3)4)34(32(22-30)26(5)6)48(45,46)40-33(20-28-13-10-14-29(19-28)35(38)39)36(43)41-15-17-42(18-16-41)37(44)47-23-27-11-8-7-9-12-27/h7-14,19,21-22,24-26,33,35,40H,15-18,20,23,38-39H2,1-6H3
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 1.40E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072855
PNG
(1-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCC(C1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C38H53N5O4S/c1-24(2)31-20-32(25(3)4)35(33(21-31)26(5)6)48(46,47)42-34(19-28-14-10-15-29(18-28)36(39)40)38(45)43-17-11-16-30(23-43)37(44)41-22-27-12-8-7-9-13-27/h7-10,12-15,18,20-21,24-26,30,34,36,42H,11,16-17,19,22-23,39-40H2,1-6H3,(H,41,44)
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 1.60E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072853
PNG
(4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H49N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,30,35H,8,12-15,17,33-34H2,1-7H3
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 1.70E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072855
PNG
(1-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCC(C1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C38H53N5O4S/c1-24(2)31-20-32(25(3)4)35(33(21-31)26(5)6)48(46,47)42-34(19-28-14-10-15-29(18-28)36(39)40)38(45)43-17-11-16-30(23-43)37(44)41-22-27-12-8-7-9-13-27/h7-10,12-15,18,20-21,24-26,30,34,36,42H,11,16-17,19,22-23,39-40H2,1-6H3,(H,41,44)
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 1.80E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072857
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C31H46N4O3S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)39(37,38)34-28(31(36)35-13-11-22(7)12-14-35)16-23-9-8-10-24(15-23)30(32)33/h8-10,15,17-22,28,34H,11-14,16H2,1-7H3,(H3,32,33)
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 2.00E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072857
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C31H46N4O3S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)39(37,38)34-28(31(36)35-13-11-22(7)12-14-35)16-23-9-8-10-24(15-23)30(32)33/h8-10,15,17-22,28,34H,11-14,16H2,1-7H3,(H3,32,33)
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 2.00E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072847
PNG
(3-[2-(9,10-Dioxo-9,10-dihydro-anthracene-2-sulfony...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C30H30N4O5S/c1-18-11-13-34(14-12-18)30(37)26(16-19-5-4-6-20(15-19)29(31)32)33-40(38,39)21-9-10-24-25(17-21)28(36)23-8-3-2-7-22(23)27(24)35/h2-10,15,17-18,26,33H,11-14,16H2,1H3,(H3,31,32)
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 2.30E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072855
PNG
(1-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCC(C1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C38H53N5O4S/c1-24(2)31-20-32(25(3)4)35(33(21-31)26(5)6)48(46,47)42-34(19-28-14-10-15-29(18-28)36(39)40)38(45)43-17-11-16-30(23-43)37(44)41-22-27-12-8-7-9-13-27/h7-10,12-15,18,20-21,24-26,30,34,36,42H,11,16-17,19,22-23,39-40H2,1-6H3,(H,41,44)
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 2.50E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072852
PNG
(4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H51N5O5S/c1-24(2)30-21-31(25(3)4)34(32(22-30)26(5)6)48(45,46)40-33(20-28-13-10-14-29(19-28)35(38)39)36(43)41-15-17-42(18-16-41)37(44)47-23-27-11-8-7-9-12-27/h7-14,19,21-22,24-26,33,35,40H,15-18,20,23,38-39H2,1-6H3
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 2.70E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072848
PNG
(3-(3-Diaminomethyl-phenyl)-N-methyl-2-[2-(naphthal...)
Show SMILES CNC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N5O4S/c1-26-23(30)20(12-15-5-4-8-18(11-15)22(24)25)28-21(29)14-27-33(31,32)19-10-9-16-6-2-3-7-17(16)13-19/h2-11,13,20,22,27H,12,14,24-25H2,1H3,(H,26,30)(H,28,29)
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 3.00E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072843
PNG
(2,7-Bis-(4-diaminomethyl-benzylidene)-cycloheptano...)
Show SMILES NC(N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)N)C2=O)cc1
Show InChI InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14,22-23H,1-4,24-27H2/b19-13+,20-14+
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 3.40E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072841
PNG
(3-(3-Diaminomethyl-phenyl)-2-[2-(naphthalene-2-sul...)
Show SMILES CC(C)OC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H30N4O5S/c1-16(2)34-25(31)22(13-17-6-5-9-20(12-17)24(26)27)29-23(30)15-28-35(32,33)21-11-10-18-7-3-4-8-19(18)14-21/h3-12,14,16,22,24,28H,13,15,26-27H2,1-2H3,(H,29,30)
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 3.70E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072845
PNG
(3-(3-Diaminomethyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H26N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,19,23H,11-12,21-22H2,1-2H3,(H,24,25)
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 3.90E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072859
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trim...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H34N4O3S/c1-16-8-10-29(11-9-16)25(30)22(15-20-6-5-7-21(14-20)24(26)27)28-33(31,32)23-18(3)12-17(2)13-19(23)4/h5-7,12-14,16,22,28H,8-11,15H2,1-4H3,(H3,26,27)
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 4.00E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072851
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H32N4O5S/c1-2-37-28(34)21-12-14-32(15-13-21)27(33)25(17-19-6-5-9-23(16-19)26(29)30)31-38(35,36)24-11-10-20-7-3-4-8-22(20)18-24/h3-11,16,18,21,25,31H,2,12-15,17H2,1H3,(H3,29,30)
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 4.50E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072845
PNG
(3-(3-Diaminomethyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H26N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,19,23H,11-12,21-22H2,1-2H3,(H,24,25)
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 5.70E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072840
PNG
(CHEMBL346607 | N-[1-(4-Diaminomethyl-benzyl)-2-oxo...)
Show SMILES NC(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H33N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,26,30H,1,4-5,14-16,18,28-29H2,(H,31,33)
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 7.90E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072848
PNG
(3-(3-Diaminomethyl-phenyl)-N-methyl-2-[2-(naphthal...)
Show SMILES CNC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N5O4S/c1-26-23(30)20(12-15-5-4-8-18(11-15)22(24)25)28-21(29)14-27-33(31,32)19-10-9-16-6-2-3-7-17(16)13-19/h2-11,13,20,22,27H,12,14,24-25H2,1H3,(H,26,30)(H,28,29)
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 9.20E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072854
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES COC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)
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 9.30E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072848
PNG
(3-(3-Diaminomethyl-phenyl)-N-methyl-2-[2-(naphthal...)
Show SMILES CNC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N5O4S/c1-26-23(30)20(12-15-5-4-8-18(11-15)22(24)25)28-21(29)14-27-33(31,32)19-10-9-16-6-2-3-7-17(16)13-19/h2-11,13,20,22,27H,12,14,24-25H2,1H3,(H,26,30)(H,28,29)
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 9.60E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072844
PNG
(CHEMBL153334 | [1-(3-Carbamimidoyl-benzyl)-2-(4-me...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C21H32N4O3/c1-14-8-10-25(11-9-14)19(26)17(24-20(27)28-21(2,3)4)13-15-6-5-7-16(12-15)18(22)23/h5-7,12,14,17H,8-11,13H2,1-4H3,(H3,22,23)(H,24,27)
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 1.40E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072842
PNG
(CHEMBL348266 | N-[1-(3-Diaminomethyl-benzyl)-2-oxo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H30N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20-21,25H,2-4,12-13,15,23-24H2,1H3
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 1.50E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072859
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trim...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H34N4O3S/c1-16-8-10-29(11-9-16)25(30)22(15-20-6-5-7-21(14-20)24(26)27)28-33(31,32)23-18(3)12-17(2)13-19(23)4/h5-7,12-14,16,22,28H,8-11,15H2,1-4H3,(H3,26,27)
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 1.60E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072850
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES COC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)22-10-5-13-31(17-22)26(32)24(15-18-6-4-9-21(14-18)25(28)29)30-37(34,35)23-12-11-19-7-2-3-8-20(19)16-23/h2-4,6-9,11-12,14,16,22,24,30H,5,10,13,15,17H2,1H3,(H3,28,29)
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 1.80E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072851
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H32N4O5S/c1-2-37-28(34)21-12-14-32(15-13-21)27(33)25(17-19-6-5-9-23(16-19)26(29)30)31-38(35,36)24-11-10-20-7-3-4-8-22(20)18-24/h3-11,16,18,21,25,31H,2,12-15,17H2,1H3,(H3,29,30)
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 1.80E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50060043
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperaz...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1
Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-7-3-4-17(14-20)15-22(24(30)29-12-10-27-11-13-29)28-33(31,32)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27-28H,10-13,15H2,(H3,25,26)
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 2.10E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50072845
PNG
(3-(3-Diaminomethyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H26N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,19,23H,11-12,21-22H2,1-2H3,(H,24,25)
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 2.30E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50072851
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H32N4O5S/c1-2-37-28(34)21-12-14-32(15-13-21)27(33)25(17-19-6-5-9-23(16-19)26(29)30)31-38(35,36)24-11-10-20-7-3-4-8-22(20)18-24/h3-11,16,18,21,25,31H,2,12-15,17H2,1H3,(H3,29,30)
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 2.40E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072856
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(toluene-4-...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H30N4O3S/c1-16-6-8-20(9-7-16)31(29,30)26-21(23(28)27-12-10-17(2)11-13-27)15-18-4-3-5-19(14-18)22(24)25/h3-9,14,17,21,26H,10-13,15H2,1-2H3,(H3,24,25)
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 2.50E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072850
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES COC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)22-10-5-13-31(17-22)26(32)24(15-18-6-4-9-21(14-18)25(28)29)30-37(34,35)23-12-11-19-7-2-3-8-20(19)16-23/h2-4,6-9,11-12,14,16,22,24,30H,5,10,13,15,17H2,1H3,(H3,28,29)
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 2.60E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50072849
PNG
(3-[2-Amino-3-(4-methyl-piperidin-1-yl)-3-oxo-propy...)
Show SMILES CC1CCN(CC1)C(=O)C(N)Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C16H24N4O/c1-11-5-7-20(8-6-11)16(21)14(17)10-12-3-2-4-13(9-12)15(18)19/h2-4,9,11,14H,5-8,10,17H2,1H3,(H3,18,19)
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 2.70E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50060047
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-(4-phen...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)
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 2.70E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50072849
PNG
(3-[2-Amino-3-(4-methyl-piperidin-1-yl)-3-oxo-propy...)
Show SMILES CC1CCN(CC1)C(=O)C(N)Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C16H24N4O/c1-11-5-7-20(8-6-11)16(21)14(17)10-12-3-2-4-13(9-12)15(18)19/h2-4,9,11,14H,5-8,10,17H2,1H3,(H3,18,19)
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 2.90E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50060033
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-18-11-13-30(14-12-18)26(31)24(16-19-5-4-8-22(15-19)25(27)28)29-34(32,33)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17-18,24,29H,11-14,16H2,1H3,(H3,27,28)
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 3.10E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072858
PNG
(3-[3-(3-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...)
Show SMILES CC1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-18-6-5-13-30(17-18)26(31)24(15-19-7-4-10-22(14-19)25(27)28)29-34(32,33)23-12-11-20-8-2-3-9-21(20)16-23/h2-4,7-12,14,16,18,24,29H,5-6,13,15,17H2,1H3,(H3,27,28)
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 3.20E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50072841
PNG
(3-(3-Diaminomethyl-phenyl)-2-[2-(naphthalene-2-sul...)
Show SMILES CC(C)OC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H30N4O5S/c1-16(2)34-25(31)22(13-17-6-5-9-20(12-17)24(26)27)29-23(30)15-28-35(32,33)21-11-10-18-7-3-4-8-19(18)14-21/h3-12,14,16,22,24,28H,13,15,26-27H2,1-2H3,(H,29,30)
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 3.30E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072846
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-1-su...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H30N4O3S/c1-18-12-14-30(15-13-18)26(31)23(17-19-6-4-9-21(16-19)25(27)28)29-34(32,33)24-11-5-8-20-7-2-3-10-22(20)24/h2-11,16,18,23,29H,12-15,17H2,1H3,(H3,27,28)
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 3.40E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072858
PNG
(3-[3-(3-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...)
Show SMILES CC1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-18-6-5-13-30(17-18)26(31)24(15-19-7-4-10-22(14-19)25(27)28)29-34(32,33)23-12-11-20-8-2-3-9-21(20)16-23/h2-4,7-12,14,16,18,24,29H,5-6,13,15,17H2,1H3,(H3,27,28)
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 3.50E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50060049
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperid...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3S/c26-24(27)21-10-6-7-18(15-21)16-23(25(30)29-13-4-1-5-14-29)28-33(31,32)22-12-11-19-8-2-3-9-20(19)17-22/h2-3,6-12,15,17,23,28H,1,4-5,13-14,16H2,(H3,26,27)
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 3.80E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50060049
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperid...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3S/c26-24(27)21-10-6-7-18(15-21)16-23(25(30)29-13-4-1-5-14-29)28-33(31,32)22-12-11-19-8-2-3-9-20(19)17-22/h2-3,6-12,15,17,23,28H,1,4-5,13-14,16H2,(H3,26,27)
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 3.80E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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 3.90E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine trypsin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072847
PNG
(3-[2-(9,10-Dioxo-9,10-dihydro-anthracene-2-sulfony...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C30H30N4O5S/c1-18-11-13-34(14-12-18)30(37)26(16-19-5-4-6-20(15-19)29(31)32)33-40(38,39)21-9-10-24-25(17-21)28(36)23-8-3-2-7-22(23)27(24)35/h2-10,15,17-18,26,33H,11-14,16H2,1H3,(H3,31,32)
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 4.00E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50060047
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-(4-phen...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)
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 4.10E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50060033
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-18-11-13-30(14-12-18)26(31)24(16-19-5-4-8-22(15-19)25(27)28)29-34(32,33)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17-18,24,29H,11-14,16H2,1H3,(H3,27,28)
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 4.10E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072846
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-1-su...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H30N4O3S/c1-18-12-14-30(15-13-18)26(31)23(17-19-6-4-9-21(16-19)25(27)28)29-34(32,33)24-11-5-8-20-7-2-3-10-22(20)24/h2-11,16,18,23,29H,12-15,17H2,1H3,(H3,27,28)
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 4.20E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072854
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES COC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)
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 4.30E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50060043
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperaz...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1
Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-7-3-4-17(14-20)15-22(24(30)29-12-10-27-11-13-29)28-33(31,32)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27-28H,10-13,15H2,(H3,25,26)
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 4.80E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072841
PNG
(3-(3-Diaminomethyl-phenyl)-2-[2-(naphthalene-2-sul...)
Show SMILES CC(C)OC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H30N4O5S/c1-16(2)34-25(31)22(13-17-6-5-9-20(12-17)24(26)27)29-23(30)15-28-35(32,33)21-11-10-18-7-3-4-8-19(18)14-21/h3-12,14,16,22,24,28H,13,15,26-27H2,1-2H3,(H,29,30)
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 4.90E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072842
PNG
(CHEMBL348266 | N-[1-(3-Diaminomethyl-benzyl)-2-oxo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H30N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20-21,25H,2-4,12-13,15,23-24H2,1H3
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 5.50E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072844
PNG
(CHEMBL153334 | [1-(3-Carbamimidoyl-benzyl)-2-(4-me...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C21H32N4O3/c1-14-8-10-25(11-9-14)19(26)17(24-20(27)28-21(2,3)4)13-15-6-5-7-16(12-15)18(22)23/h5-7,12,14,17H,8-11,13H2,1-4H3,(H3,22,23)(H,24,27)
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 5.60E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072844
PNG
(CHEMBL153334 | [1-(3-Carbamimidoyl-benzyl)-2-(4-me...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C21H32N4O3/c1-14-8-10-25(11-9-14)19(26)17(24-20(27)28-21(2,3)4)13-15-6-5-7-16(12-15)18(22)23/h5-7,12,14,17H,8-11,13H2,1-4H3,(H3,22,23)(H,24,27)
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 6.40E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50072848
PNG
(3-(3-Diaminomethyl-phenyl)-N-methyl-2-[2-(naphthal...)
Show SMILES CNC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N5O4S/c1-26-23(30)20(12-15-5-4-8-18(11-15)22(24)25)28-21(29)14-27-33(31,32)19-10-9-16-6-2-3-7-17(16)13-19/h2-11,13,20,22,27H,12,14,24-25H2,1H3,(H,26,30)(H,28,29)
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 6.90E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50072840
PNG
(CHEMBL346607 | N-[1-(4-Diaminomethyl-benzyl)-2-oxo...)
Show SMILES NC(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H33N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,26,30H,1,4-5,14-16,18,28-29H2,(H,31,33)
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 7.00E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072856
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(toluene-4-...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H30N4O3S/c1-16-6-8-20(9-7-16)31(29,30)26-21(23(28)27-12-10-17(2)11-13-27)15-18-4-3-5-19(14-18)22(24)25/h3-9,14,17,21,26H,10-13,15H2,1-2H3,(H3,24,25)
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 7.10E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072845
PNG
(3-(3-Diaminomethyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H26N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,19,23H,11-12,21-22H2,1-2H3,(H,24,25)
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 7.80E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072859
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trim...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H34N4O3S/c1-16-8-10-29(11-9-16)25(30)22(15-20-6-5-7-21(14-20)24(26)27)28-33(31,32)23-18(3)12-17(2)13-19(23)4/h5-7,12-14,16,22,28H,8-11,15H2,1-4H3,(H3,26,27)
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 9.50E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50072842
PNG
(CHEMBL348266 | N-[1-(3-Diaminomethyl-benzyl)-2-oxo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H30N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20-21,25H,2-4,12-13,15,23-24H2,1H3
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 1.20E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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 1.60E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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 1.80E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50072849
PNG
(3-[2-Amino-3-(4-methyl-piperidin-1-yl)-3-oxo-propy...)
Show SMILES CC1CCN(CC1)C(=O)C(N)Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C16H24N4O/c1-11-5-7-20(8-6-11)16(21)14(17)10-12-3-2-4-13(9-12)15(18)19/h2-4,9,11,14H,5-8,10,17H2,1H3,(H3,18,19)
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 2.30E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine coagulation factor X expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072849
PNG
(3-[2-Amino-3-(4-methyl-piperidin-1-yl)-3-oxo-propy...)
Show SMILES CC1CCN(CC1)C(=O)C(N)Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C16H24N4O/c1-11-5-7-20(8-6-11)16(21)14(17)10-12-3-2-4-13(9-12)15(18)19/h2-4,9,11,14H,5-8,10,17H2,1H3,(H3,18,19)
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 8.00E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))		BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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 8.90E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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 9.10E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072840
PNG
(CHEMBL346607 | N-[1-(4-Diaminomethyl-benzyl)-2-oxo...)
Show SMILES NC(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H33N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,26,30H,1,4-5,14-16,18,28-29H2,(H,31,33)
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>1.00E+6n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50072848
PNG
(3-(3-Diaminomethyl-phenyl)-N-methyl-2-[2-(naphthal...)
Show SMILES CNC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N5O4S/c1-26-23(30)20(12-15-5-4-8-18(11-15)22(24)25)28-21(29)14-27-33(31,32)19-10-9-16-6-2-3-7-17(16)13-19/h2-11,13,20,22,27H,12,14,24-25H2,1H3,(H,26,30)(H,28,29)
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>1.00E+6n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%