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48 similar compounds to monomer 50060037

Compile data set for download or QSAR
Wt: 578.6
BDBM23880		Wt: 507.6
BDBM23901		Wt: 521.6
BDBM23906		Wt: 547.7
BDBM23908		Wt: 493.5
BDBM50060023
Wt: 543.6
BDBM50060014		Wt: 509.6
BDBM50060015		Wt: 543.6
BDBM50060017		Wt: 569.6
BDBM50060018		Wt: 509.6
BDBM50060024
Wt: 619.7
BDBM50060025		Wt: 535.6
BDBM50060026		Wt: 549.7
BDBM50060027		Wt: 575.7
BDBM50060021		Wt: 619.8
BDBM50060028
Displayed 1 to 15 (of 48 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 85 hits for monomerid = 23880,23901,23906,23908,50060023,50060014,50060015,50060017,50060018,50060024,50060025,50060026,50060027,50060021,50060028   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Thrombin


(Bos taurus (Bovine))		BDBM50060017
PNG
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-2-(nap...)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N5O5S2/c1-36(32,33)30-13-11-29(12-14-30)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)/t23-/m1/s1
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 2.10n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50060014
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-2-(naphtha...)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N5O5S2/c1-36(32,33)30-13-11-29(12-14-30)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)
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 3.30n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50060027
PNG
(3-[2-(4-tert-Butyl-benzenesulfonylamino)-3-(4-meth...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H35N5O5S2/c1-25(2,3)20-8-10-21(11-9-20)37(34,35)28-22(17-18-6-5-7-19(16-18)23(26)27)24(31)29-12-14-30(15-13-29)36(4,32)33/h5-11,16,22,28H,12-15,17H2,1-4H3,(H3,26,27)
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 4.30n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50060025
PNG
(3-{2-(Naphthalene-2-sulfonylamino)-3-oxo-3-[4-(tol...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C31H33N5O5S2/c1-22-9-12-27(13-10-22)43(40,41)36-17-15-35(16-18-36)31(37)29(20-23-5-4-8-26(19-23)30(32)33)34-42(38,39)28-14-11-24-6-2-3-7-25(24)21-28/h2-14,19,21,29,34H,15-18,20H2,1H3,(H3,32,33)
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 22n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50060023
PNG
(3-[(R)-3-(4-Formyl-piperazin-1-yl)-2-(naphthalene-...)
Show SMILES NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1
Show InChI InChI=1S/C25H27N5O4S/c26-24(27)21-7-3-4-18(14-21)15-23(25(32)30-12-10-29(17-31)11-13-30)28-35(33,34)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16-17,23,28H,10-13,15H2,(H3,26,27)/t23-/m1/s1
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 23n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50060024
PNG
(3-[(R)-3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-2-(n...)
Show SMILES NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1
Show InChI InChI=1S/C26H31N5O4S/c27-25(28)22-7-3-4-19(16-22)17-24(26(33)31-12-10-30(11-13-31)14-15-32)29-36(34,35)23-9-8-20-5-1-2-6-21(20)18-23/h1-9,16,18,24,29,32H,10-15,17H2,(H3,27,28)/t24-/m1/s1
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 37n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)		BDBM50060026
PNG
(3-[3-(4-Butyryl-piperazin-1-yl)-2-(naphthalene-2-s...)
Show SMILES CCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H33N5O4S/c1-2-6-26(34)32-13-15-33(16-14-32)28(35)25(18-20-7-5-10-23(17-20)27(29)30)31-38(36,37)24-12-11-21-8-3-4-9-22(21)19-24/h3-5,7-12,17,19,25,31H,2,6,13-16,18H2,1H3,(H3,29,30)
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 49n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50060015
PNG
(3-[3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-2-(napht...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1
Show InChI InChI=1S/C26H31N5O4S/c27-25(28)22-7-3-4-19(16-22)17-24(26(33)31-12-10-30(11-13-31)14-15-32)29-36(34,35)23-9-8-20-5-1-2-6-21(20)18-23/h1-9,16,18,24,29,32H,10-15,17H2,(H3,27,28)
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 58n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)		BDBM50060017
PNG
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-2-(nap...)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N5O5S2/c1-36(32,33)30-13-11-29(12-14-30)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)/t23-/m1/s1
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 67n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)		BDBM50060021
PNG
(3-[3-(4-Cyclohexanecarbonyl-piperazin-1-yl)-2-(nap...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)C2CCCCC2)c1
Show InChI InChI=1S/C31H37N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h4-8,11-14,19,21,24,28,34H,1-3,9-10,15-18,20H2,(H3,32,33)
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 72n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)		BDBM50060023
PNG
(3-[(R)-3-(4-Formyl-piperazin-1-yl)-2-(naphthalene-...)
Show SMILES NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1
Show InChI InChI=1S/C25H27N5O4S/c26-24(27)21-7-3-4-18(14-21)15-23(25(32)30-12-10-29(17-31)11-13-30)28-35(33,34)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16-17,23,28H,10-13,15H2,(H3,26,27)/t23-/m1/s1
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 73n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))		BDBM23901
PNG
(3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-(naph...)
Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H33N5O3S/c28-13-10-19-11-14-32(15-12-19)27(33)25(17-20-4-3-7-23(16-20)26(29)30)31-36(34,35)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,31H,10-15,17,28H2,(H3,29,30)/t25-/m0/s1
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 110n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Matriptase


(Homo sapiens (Human))		BDBM23908
PNG
(3-[(2S)-2-(naphthalene-2-sulfonamido)-3-oxo-3-[4-(...)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)C2CCNCC2)c1
Show InChI InChI=1S/C30H37N5O3S/c31-29(32)26-7-3-4-21(18-26)19-28(30(36)35-16-12-24(13-17-35)23-10-14-33-15-11-23)34-39(37,38)27-9-8-22-5-1-2-6-25(22)20-27/h1-9,18,20,23-24,28,33-34H,10-17,19H2,(H3,31,32)/t28-/m0/s1
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 120n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Trypsin II


(Bos taurus)		BDBM50060018
PNG
(3-[3-(4-Benzoyl-piperazin-1-yl)-2-(naphthalene-2-s...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H31N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h1-14,19,21,28,34H,15-18,20H2,(H3,32,33)
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 140n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))		BDBM23906
PNG
(3-[(2S)-3-[4-(3-aminopropyl)piperidin-1-yl]-2-(nap...)
Show SMILES NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N5O3S/c29-14-4-6-20-12-15-33(16-13-20)28(34)26(18-21-5-3-9-24(17-21)27(30)31)32-37(35,36)25-11-10-22-7-1-2-8-23(22)19-25/h1-3,5,7-11,17,19-20,26,32H,4,6,12-16,18,29H2,(H3,30,31)/t26-/m0/s1
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 160n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Trypsin II


(Bos taurus)		BDBM50060027
PNG
(3-[2-(4-tert-Butyl-benzenesulfonylamino)-3-(4-meth...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H35N5O5S2/c1-25(2,3)20-8-10-21(11-9-20)37(34,35)28-22(17-18-6-5-7-19(16-18)23(26)27)24(31)29-12-14-30(15-13-29)36(4,32)33/h5-11,16,22,28H,12-15,17H2,1-4H3,(H3,26,27)
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 160n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)		BDBM50060014
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-2-(naphtha...)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N5O5S2/c1-36(32,33)30-13-11-29(12-14-30)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)
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 190n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM23908
PNG
(3-[(2S)-2-(naphthalene-2-sulfonamido)-3-oxo-3-[4-(...)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)C2CCNCC2)c1
Show InChI InChI=1S/C30H37N5O3S/c31-29(32)26-7-3-4-21(18-26)19-28(30(36)35-16-12-24(13-17-35)23-10-14-33-15-11-23)34-39(37,38)27-9-8-22-5-1-2-6-25(22)20-27/h1-9,18,20,23-24,28,33-34H,10-17,19H2,(H3,31,32)/t28-/m0/s1
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 210n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM23901
PNG
(3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-(naph...)
Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H33N5O3S/c28-13-10-19-11-14-32(15-12-19)27(33)25(17-20-4-3-7-23(16-20)26(29)30)31-36(34,35)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,31H,10-15,17,28H2,(H3,29,30)/t25-/m0/s1
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 210n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))		BDBM23880
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H34N8O4S/c29-26(30)22-7-3-4-19(16-22)17-24(34-41(39,40)23-9-8-20-5-1-2-6-21(20)18-23)27(38)36-14-12-35(13-15-36)25(37)10-11-33-28(31)32/h1-9,16,18,24,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t24-/m0/s1
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 210 -9.10n/an/an/an/an/a8.025



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Trypsin II


(Bos taurus)		BDBM50060025
PNG
(3-{2-(Naphthalene-2-sulfonylamino)-3-oxo-3-[4-(tol...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C31H33N5O5S2/c1-22-9-12-27(13-10-22)43(40,41)36-17-15-35(16-18-36)31(37)29(20-23-5-4-8-26(19-23)30(32)33)34-42(38,39)28-14-11-24-6-2-3-7-25(24)21-28/h2-14,19,21,29,34H,15-18,20H2,1H3,(H3,32,33)
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 220n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50060028
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)
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)S(C)(=O)=O
Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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 280n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM23906
PNG
(3-[(2S)-3-[4-(3-aminopropyl)piperidin-1-yl]-2-(nap...)
Show SMILES NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N5O3S/c29-14-4-6-20-12-15-33(16-13-20)28(34)26(18-21-5-3-9-24(17-21)27(30)31)32-37(35,36)25-11-10-22-7-1-2-8-23(22)19-25/h1-3,5,7-11,17,19-20,26,32H,4,6,12-16,18,29H2,(H3,30,31)/t26-/m0/s1
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 600n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)		BDBM50060024
PNG
(3-[(R)-3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-2-(n...)
Show SMILES NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1
Show InChI InChI=1S/C26H31N5O4S/c27-25(28)22-7-3-4-19(16-22)17-24(26(33)31-12-10-30(11-13-31)14-15-32)29-36(34,35)23-9-8-20-5-1-2-6-21(20)18-23/h1-9,16,18,24,29,32H,10-15,17H2,(H3,27,28)/t24-/m1/s1
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 600n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)		BDBM50060028
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)
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)S(C)(=O)=O
Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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 620n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin

Bioorg Med Chem Lett 9: 3147-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00541-7
BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM23906
PNG
(3-[(2S)-3-[4-(3-aminopropyl)piperidin-1-yl]-2-(nap...)
Show SMILES NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N5O3S/c29-14-4-6-20-12-15-33(16-13-20)28(34)26(18-21-5-3-9-24(17-21)27(30)31)32-37(35,36)25-11-10-22-7-1-2-8-23(22)19-25/h1-3,5,7-11,17,19-20,26,32H,4,6,12-16,18,29H2,(H3,30,31)/t26-/m0/s1
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 730n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)		BDBM50060028
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)
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)S(C)(=O)=O
Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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 980n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50060026
PNG
(3-[3-(4-Butyryl-piperazin-1-yl)-2-(naphthalene-2-s...)
Show SMILES CCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H33N5O4S/c1-2-6-26(34)32-13-15-33(16-14-32)28(35)25(18-20-7-5-10-23(17-20)27(29)30)31-38(36,37)24-12-11-21-8-3-4-9-22(21)19-24/h3-5,7-12,17,19,25,31H,2,6,13-16,18H2,1H3,(H3,29,30)
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 1.04E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)		BDBM50060015
PNG
(3-[3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-2-(napht...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1
Show InChI InChI=1S/C26H31N5O4S/c27-25(28)22-7-3-4-19(16-22)17-24(26(33)31-12-10-30(11-13-31)14-15-32)29-36(34,35)23-9-8-20-5-1-2-6-21(20)18-23/h1-9,16,18,24,29,32H,10-15,17H2,(H3,27,28)
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 1.10E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM23901
PNG
(3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-(naph...)
Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H33N5O3S/c28-13-10-19-11-14-32(15-12-19)27(33)25(17-20-4-3-7-23(16-20)26(29)30)31-36(34,35)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,31H,10-15,17,28H2,(H3,29,30)/t25-/m0/s1
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 1.40E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM23880
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H34N8O4S/c29-26(30)22-7-3-4-19(16-22)17-24(34-41(39,40)23-9-8-20-5-1-2-6-21(20)18-23)27(38)36-14-12-35(13-15-36)25(37)10-11-33-28(31)32/h1-9,16,18,24,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t24-/m0/s1
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 1.40E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM23906
PNG
(3-[(2S)-3-[4-(3-aminopropyl)piperidin-1-yl]-2-(nap...)
Show SMILES NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N5O3S/c29-14-4-6-20-12-15-33(16-13-20)28(34)26(18-21-5-3-9-24(17-21)27(30)31)32-37(35,36)25-11-10-22-7-1-2-8-23(22)19-25/h1-3,5,7-11,17,19-20,26,32H,4,6,12-16,18,29H2,(H3,30,31)/t26-/m0/s1
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 2.10E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM23908
PNG
(3-[(2S)-2-(naphthalene-2-sulfonamido)-3-oxo-3-[4-(...)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)C2CCNCC2)c1
Show InChI InChI=1S/C30H37N5O3S/c31-29(32)26-7-3-4-21(18-26)19-28(30(36)35-16-12-24(13-17-35)23-10-14-33-15-11-23)34-39(37,38)27-9-8-22-5-1-2-6-25(22)20-27/h1-9,18,20,23-24,28,33-34H,10-17,19H2,(H3,31,32)/t28-/m0/s1
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 2.20E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM23901
PNG
(3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-(naph...)
Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H33N5O3S/c28-13-10-19-11-14-32(15-12-19)27(33)25(17-20-4-3-7-23(16-20)26(29)30)31-36(34,35)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,31H,10-15,17,28H2,(H3,29,30)/t25-/m0/s1
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 2.30E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM23880
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H34N8O4S/c29-26(30)22-7-3-4-19(16-22)17-24(34-41(39,40)23-9-8-20-5-1-2-6-21(20)18-23)27(38)36-14-12-35(13-15-36)25(37)10-11-33-28(31)32/h1-9,16,18,24,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t24-/m0/s1
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 2.80E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM50060023
PNG
(3-[(R)-3-(4-Formyl-piperazin-1-yl)-2-(naphthalene-...)
Show SMILES NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1
Show InChI InChI=1S/C25H27N5O4S/c26-24(27)21-7-3-4-18(14-21)15-23(25(32)30-12-10-29(17-31)11-13-30)28-35(33,34)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16-17,23,28H,10-13,15H2,(H3,26,27)/t23-/m1/s1
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 3.30E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against Kallikrein (PK)

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50060023
PNG
(3-[(R)-3-(4-Formyl-piperazin-1-yl)-2-(naphthalene-...)
Show SMILES NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1
Show InChI InChI=1S/C25H27N5O4S/c26-24(27)21-7-3-4-18(14-21)15-23(25(32)30-12-10-29(17-31)11-13-30)28-35(33,34)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16-17,23,28H,10-13,15H2,(H3,26,27)/t23-/m1/s1
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 3.30E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmin.

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50060028
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)
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)S(C)(=O)=O
Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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 6.40E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50060027
PNG
(3-[2-(4-tert-Butyl-benzenesulfonylamino)-3-(4-meth...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H35N5O5S2/c1-25(2,3)20-8-10-21(11-9-20)37(34,35)28-22(17-18-6-5-7-19(16-18)23(26)27)24(31)29-12-14-30(15-13-29)36(4,32)33/h5-11,16,22,28H,12-15,17H2,1-4H3,(H3,26,27)
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 6.80E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor X.

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM23880
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H34N8O4S/c29-26(30)22-7-3-4-19(16-22)17-24(34-41(39,40)23-9-8-20-5-1-2-6-21(20)18-23)27(38)36-14-12-35(13-15-36)25(37)10-11-33-28(31)32/h1-9,16,18,24,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t24-/m0/s1
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 6.90E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50060018
PNG
(3-[3-(4-Benzoyl-piperazin-1-yl)-2-(naphthalene-2-s...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H31N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h1-14,19,21,28,34H,15-18,20H2,(H3,32,33)
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 7.20E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50060028
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)
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)S(C)(=O)=O
Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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 7.40E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor X.

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM50060018
PNG
(3-[3-(4-Benzoyl-piperazin-1-yl)-2-(naphthalene-2-s...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H31N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h1-14,19,21,28,34H,15-18,20H2,(H3,32,33)
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 7.60E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50060028
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)
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)S(C)(=O)=O
Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)
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 8.00E+3n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of plasmin

Bioorg Med Chem Lett 9: 3147-52 (1999)


Article DOI: 10.1016/s0960-894x(99)00541-7
BindingDB Entry DOI: 10.7270/Q2RB73S3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50060026
PNG
(3-[3-(4-Butyryl-piperazin-1-yl)-2-(naphthalene-2-s...)
Show SMILES CCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H33N5O4S/c1-2-6-26(34)32-13-15-33(16-14-32)28(35)25(18-20-7-5-10-23(17-20)27(29)30)31-38(36,37)24-12-11-21-8-3-4-9-22(21)19-24/h3-5,7-12,17,19,25,31H,2,6,13-16,18H2,1H3,(H3,29,30)
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 8.60E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50060017
PNG
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-2-(nap...)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N5O5S2/c1-36(32,33)30-13-11-29(12-14-30)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)/t23-/m1/s1
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 9.00E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmin.

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)		BDBM50060023
PNG
(3-[(R)-3-(4-Formyl-piperazin-1-yl)-2-(naphthalene-...)
Show SMILES NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1
Show InChI InChI=1S/C25H27N5O4S/c26-24(27)21-7-3-4-18(14-21)15-23(25(32)30-12-10-29(17-31)11-13-30)28-35(33,34)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16-17,23,28H,10-13,15H2,(H3,26,27)/t23-/m1/s1
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 9.70E+3n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor X.

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50060021
PNG
(3-[3-(4-Cyclohexanecarbonyl-piperazin-1-yl)-2-(nap...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)C2CCCCC2)c1
Show InChI InChI=1S/C31H37N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h4-8,11-14,19,21,24,28,34H,1-3,9-10,15-18,20H2,(H3,32,33)
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 1.02E+4n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))		BDBM50060023
PNG
(3-[(R)-3-(4-Formyl-piperazin-1-yl)-2-(naphthalene-...)
Show SMILES NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1
Show InChI InChI=1S/C25H27N5O4S/c26-24(27)21-7-3-4-18(14-21)15-23(25(32)30-12-10-29(17-31)11-13-30)28-35(33,34)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16-17,23,28H,10-13,15H2,(H3,26,27)/t23-/m1/s1
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 1.03E+4n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against Activated protein C

J Med Chem 40: 3091-9 (1997)


Article DOI: 10.1021/jm960668h
BindingDB Entry DOI: 10.7270/Q2Z60PRH
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))		BDBM23908
PNG
(3-[(2S)-2-(naphthalene-2-sulfonamido)-3-oxo-3-[4-(...)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)C2CCNCC2)c1
Show InChI InChI=1S/C30H37N5O3S/c31-29(32)26-7-3-4-21(18-26)19-28(30(36)35-16-12-24(13-17-35)23-10-14-33-15-11-23)34-39(37,38)27-9-8-22-5-1-2-6-25(22)20-27/h1-9,18,20,23-24,28,33-34H,10-17,19H2,(H3,31,32)/t28-/m0/s1
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 1.20E+4n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...

J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
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