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17 similar compounds to monomer 50037996

Compile data set for download or QSAR
Wt: 507.6
BDBM50069292		Wt: 493.6
BDBM50069294		Wt: 521.6
BDBM50069296		Wt: 507.6
BDBM50069298		Wt: 535.7
BDBM50069299
Wt: 523.6
BDBM50072840		Wt: 469.5
BDBM50072848		Wt: 478.6
BDBM50070783		Wt: 523.6
BDBM50098230		Wt: 537.6
BDBM50098234
Wt: 538.6
BDBM50098246		Wt: 528.6
BDBM50291357		Wt: 478.6
BDBM50291358		Wt: 536.6
BDBM50291360		Wt: 550.6
BDBM50291362
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50069292,50069294,50069296,50069298,50069299,50072840,50072848,50070783,50098230,50098234,50098246,50291357,50291358,50291360,50291362   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 0.380n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin

Bioorg Med Chem Lett 8: 2563-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00456-9
BindingDB Entry DOI: 10.7270/Q20Z72FK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 0.380n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human thrombin

Bioorg Med Chem Lett 8: 1683-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00293-5
BindingDB Entry DOI: 10.7270/Q2BG2N5D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 0.380n/an/an/an/an/an/an/an/a



Life Science R & D, LGCI

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

Bioorg Med Chem Lett 12: 1017-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00093-8
BindingDB Entry DOI: 10.7270/Q2CV4J9T
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 0.380n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against human thrombin

Bioorg Med Chem Lett 8: 631-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00079-1
BindingDB Entry DOI: 10.7270/Q2CR5SHR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



LG Chemical Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.

Bioorg Med Chem Lett 10: 2775-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00579-5
BindingDB Entry DOI: 10.7270/Q2FT8K8K
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against human thrombin was determined in vitro.

Bioorg Med Chem Lett 9: 2483-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00412-6
BindingDB Entry DOI: 10.7270/Q2CC0ZW2
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 1.10n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against bovine thrombin

Bioorg Med Chem Lett 8: 631-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00079-1
BindingDB Entry DOI: 10.7270/Q2CR5SHR
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50069292
PNG
(CHEMBL156082 | N-ethyl-N-cyclopentyl-3-(4-hydrazon...)
Show SMILES CCN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H33N5O3S/c1-2-32(23-9-5-6-10-23)27(33)25(17-19-11-13-21(14-12-19)26(28)30-29)31-36(34,35)24-16-15-20-7-3-4-8-22(20)18-24/h3-4,7-8,11-16,18,23,25,31H,2,5-6,9-10,17,29H2,1H3,(H2,28,30)/t25-/m0/s1
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 4n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against bovine thrombin

Bioorg Med Chem Lett 8: 631-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00079-1
BindingDB Entry DOI: 10.7270/Q2CR5SHR
More data for this
Ligand-Target Pair
Thrombin


(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
Thrombin


(Bos taurus (Bovine))		BDBM50098230
PNG
(CHEMBL9491 | N-[1-(4-Diaminomethyl-benzyl)-2-oxo-2...)
Show SMILES NC(N)c1ccc(C[C@@H](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)/t24-/m1/s1
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 6.5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity was determined against bovine thrombin.

J Med Chem 44: 1043-50 (2001)


Article DOI: 10.1021/jm000405u
BindingDB Entry DOI: 10.7270/Q2KS6S86
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50070783
PNG
((S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-met...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-30(22-8-4-5-9-22)26(31)24(16-18-10-12-20(13-11-18)25(27)28)29-34(32,33)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,29H,4-5,8-9,16H2,1H3,(H3,27,28)/t24-/m0/s1
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 6.80n/an/an/an/an/an/an/an/a



Life Science R & D, LGCI

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

Bioorg Med Chem Lett 12: 1017-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00093-8
BindingDB Entry DOI: 10.7270/Q2CV4J9T
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50070783
PNG
((S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-met...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-30(22-8-4-5-9-22)26(31)24(16-18-10-12-20(13-11-18)25(27)28)29-34(32,33)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,29H,4-5,8-9,16H2,1H3,(H3,27,28)/t24-/m0/s1
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 6.80n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin

Bioorg Med Chem Lett 8: 2563-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00456-9
BindingDB Entry DOI: 10.7270/Q20Z72FK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50070783
PNG
((S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-met...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-30(22-8-4-5-9-22)26(31)24(16-18-10-12-20(13-11-18)25(27)28)29-34(32,33)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,29H,4-5,8-9,16H2,1H3,(H3,27,28)/t24-/m0/s1
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 6.80n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human thrombin

Bioorg Med Chem Lett 8: 1683-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00293-5
BindingDB Entry DOI: 10.7270/Q2BG2N5D
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 33n/an/an/an/an/an/an/an/a



LG Chemical Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Bovine Trypsin

Bioorg Med Chem Lett 10: 2775-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00579-5
BindingDB Entry DOI: 10.7270/Q2FT8K8K
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50291357
PNG
(4-[(S)-2-(Anthracene-2-sulfonylamino)-3-azepan-1-y...)
Show SMILES NC(=N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3cc4ccccc4cc3c2)C(=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C30H32N4O3S/c31-29(32)22-11-9-21(10-12-22)17-28(30(35)34-15-5-1-2-6-16-34)33-38(36,37)27-14-13-25-18-23-7-3-4-8-24(23)19-26(25)20-27/h3-4,7-14,18-20,28,33H,1-2,5-6,15-17H2,(H3,31,32)/t28-/m0/s1
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 50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect against bovine thrombin

Bioorg Med Chem Lett 7: 769-774 (1997)


Article DOI: 10.1016/S0960-894X(97)00115-7
BindingDB Entry DOI: 10.7270/Q2B27V9F
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50291358
PNG
(4-[(S)-3-Azepan-1-yl-2-(naphthalene-2-sulfonylamin...)
Show SMILES NC(=N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C26H30N4O3S/c27-25(28)21-11-9-19(10-12-21)17-24(26(31)30-15-5-1-2-6-16-30)29-34(32,33)23-14-13-20-7-3-4-8-22(20)18-23/h3-4,7-14,18,24,29H,1-2,5-6,15-17H2,(H3,27,28)/t24-/m0/s1
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 52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect against bovine thrombin

Bioorg Med Chem Lett 7: 769-774 (1997)


Article DOI: 10.1016/S0960-894X(97)00115-7
BindingDB Entry DOI: 10.7270/Q2B27V9F
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50069296
PNG
(CHEMBL347371 | N-(n-propyl)-N-cyclopentyl-3-(4-hyd...)
Show SMILES CCCN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N5O3S/c1-2-17-33(24-9-5-6-10-24)28(34)26(18-20-11-13-22(14-12-20)27(29)31-30)32-37(35,36)25-16-15-21-7-3-4-8-23(21)19-25/h3-4,7-8,11-16,19,24,26,32H,2,5-6,9-10,17-18,30H2,1H3,(H2,29,31)/t26-/m0/s1
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 93n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against bovine thrombin

Bioorg Med Chem Lett 8: 631-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00079-1
BindingDB Entry DOI: 10.7270/Q2CR5SHR
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50069298
PNG
(CHEMBL434678 | N-methyl-N-cyclohexyl-3-(4-hydrazon...)
Show SMILES CN(C1CCCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H33N5O3S/c1-32(23-9-3-2-4-10-23)27(33)25(17-19-11-13-21(14-12-19)26(28)30-29)31-36(34,35)24-16-15-20-7-5-6-8-22(20)18-24/h5-8,11-16,18,23,25,31H,2-4,9-10,17,29H2,1H3,(H2,28,30)/t25-/m0/s1
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 152n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against bovine thrombin

Bioorg Med Chem Lett 8: 631-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00079-1
BindingDB Entry DOI: 10.7270/Q2CR5SHR
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50069299
PNG
(CHEMBL155317 | N-(n-butyl)-N-cyclopentyl-3-(4-hydr...)
Show SMILES CCCCN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H37N5O3S/c1-2-3-18-34(25-10-6-7-11-25)29(35)27(19-21-12-14-23(15-13-21)28(30)32-31)33-38(36,37)26-17-16-22-8-4-5-9-24(22)20-26/h4-5,8-9,12-17,20,25,27,33H,2-3,6-7,10-11,18-19,31H2,1H3,(H2,30,32)/t27-/m0/s1
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 231n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against bovine thrombin

Bioorg Med Chem Lett 8: 631-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00079-1
BindingDB Entry DOI: 10.7270/Q2CR5SHR
More data for this
Ligand-Target Pair
Trypsin


(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
Coagulation factor X


(Homo sapiens (Human))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 1.10E+3n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Coagulation factor X

Bioorg Med Chem Lett 8: 631-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00079-1
BindingDB Entry DOI: 10.7270/Q2CR5SHR
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50291362
PNG
(1N-[1-[4-amino(aminoimino)methylbenzyl]-2-(1-azepa...)
Show SMILES NN=C(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C28H34N6O4S/c29-27(33-30)22-11-9-20(10-12-22)17-25(28(36)34-15-5-1-2-6-16-34)32-26(35)19-31-39(37,38)24-14-13-21-7-3-4-8-23(21)18-24/h3-4,7-14,18,25,31H,1-2,5-6,15-17,19,30H2,(H2,29,33)(H,32,35)/t25-/m1/s1
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 2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect against bovine thrombin

Bioorg Med Chem Lett 7: 769-774 (1997)


Article DOI: 10.1016/S0960-894X(97)00115-7
BindingDB Entry DOI: 10.7270/Q2B27V9F
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
Trypsin


(Bos taurus (bovine))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 3.20E+3n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against bovine trypsin

Bioorg Med Chem Lett 8: 1683-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00293-5
BindingDB Entry DOI: 10.7270/Q2BG2N5D
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 3.29E+3n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against bovine trypsin

Bioorg Med Chem Lett 8: 631-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00079-1
BindingDB Entry DOI: 10.7270/Q2CR5SHR
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50098246
PNG
(CHEMBL9111 | N-{1-[4-(Amino-hydrazino-methyl)-benz...)
Show SMILES NNC(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H34N6O4S/c28-26(32-29)21-10-8-19(9-11-21)16-24(27(35)33-14-4-1-5-15-33)31-25(34)18-30-38(36,37)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,26,30,32H,1,4-5,14-16,18,28-29H2,(H,31,34)/t24-,26?/m1/s1
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 4.32E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity was determined against bovine thrombin.

J Med Chem 44: 1043-50 (2001)


Article DOI: 10.1021/jm000405u
BindingDB Entry DOI: 10.7270/Q2KS6S86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50291360
PNG
(1N-[1-[4-amino(amineimino)methylbenzyl]-2-hexahydr...)
Show SMILES NN=C(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H32N6O4S/c28-26(32-29)21-10-8-19(9-11-21)16-24(27(35)33-14-4-1-5-15-33)31-25(34)18-30-38(36,37)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18,29H2,(H2,28,32)(H,31,34)/t24-/m1/s1
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 5.37E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect against bovine thrombin

Bioorg Med Chem Lett 7: 769-774 (1997)


Article DOI: 10.1016/S0960-894X(97)00115-7
BindingDB Entry DOI: 10.7270/Q2B27V9F
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50098234
PNG
(CHEMBL268683 | N-{1-[4-(Amino-methylamino-methyl)-...)
Show SMILES CNC(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C28H35N5O4S/c1-30-27(29)22-11-9-20(10-12-22)17-25(28(35)33-15-5-2-6-16-33)32-26(34)19-31-38(36,37)24-14-13-21-7-3-4-8-23(21)18-24/h3-4,7-14,18,25,27,30-31H,2,5-6,15-17,19,29H2,1H3,(H,32,34)/t25-,27?/m1/s1
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 5.37E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity was determined against bovine thrombin.

J Med Chem 44: 1043-50 (2001)


Article DOI: 10.1021/jm000405u
BindingDB Entry DOI: 10.7270/Q2KS6S86
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
Trypsin


(Bos taurus (bovine))		BDBM50291358
PNG
(4-[(S)-3-Azepan-1-yl-2-(naphthalene-2-sulfonylamin...)
Show SMILES NC(=N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C26H30N4O3S/c27-25(28)21-11-9-19(10-12-21)17-24(26(31)30-15-5-1-2-6-16-30)29-34(32,33)23-14-13-20-7-3-4-8-22(20)18-23/h3-4,7-14,18,24,29H,1-2,5-6,15-17H2,(H3,27,28)/t24-/m0/s1
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 8.65E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect of compound was measured in bovine trypsin

Bioorg Med Chem Lett 7: 769-774 (1997)


Article DOI: 10.1016/S0960-894X(97)00115-7
BindingDB Entry DOI: 10.7270/Q2B27V9F
More data for this
Ligand-Target Pair
Trypsin


(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
Thrombin


(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
Trypsin


(Bos taurus (bovine))		BDBM50070783
PNG
((S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-met...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-30(22-8-4-5-9-22)26(31)24(16-18-10-12-20(13-11-18)25(27)28)29-34(32,33)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,29H,4-5,8-9,16H2,1H3,(H3,27,28)/t24-/m0/s1
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 1.62E+4n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against bovine trypsin

Bioorg Med Chem Lett 8: 1683-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00293-5
BindingDB Entry DOI: 10.7270/Q2BG2N5D
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 2.72E+4n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against tissue plasminogen activator

Bioorg Med Chem Lett 8: 631-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00079-1
BindingDB Entry DOI: 10.7270/Q2CR5SHR
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 3.30E+4n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against bovine trypsin was determined in vitro.

Bioorg Med Chem Lett 9: 2483-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00412-6
BindingDB Entry DOI: 10.7270/Q2CC0ZW2
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50069294
PNG
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)
Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
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 4.79E+4n/an/an/an/an/an/an/an/a



Biotech Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against human plasmin

Bioorg Med Chem Lett 8: 631-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00079-1
BindingDB Entry DOI: 10.7270/Q2CR5SHR
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
Trypsin


(Bos taurus (bovine))		BDBM50291360
PNG
(1N-[1-[4-amino(amineimino)methylbenzyl]-2-hexahydr...)
Show SMILES NN=C(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H32N6O4S/c28-26(32-29)21-10-8-19(9-11-21)16-24(27(35)33-14-4-1-5-15-33)31-25(34)18-30-38(36,37)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18,29H2,(H2,28,32)(H,31,34)/t24-/m1/s1
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 1.92E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect of compound was measured in bovine trypsin

Bioorg Med Chem Lett 7: 769-774 (1997)


Article DOI: 10.1016/S0960-894X(97)00115-7
BindingDB Entry DOI: 10.7270/Q2B27V9F
More data for this
Ligand-Target Pair
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