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15 molecules are shown

Wt: 578.6
BDBM23880
Wt: 578.6
BDBM23882
Wt: 590.7
BDBM23912
Wt: 627.7
BDBM23913
Wt: 628.7
BDBM23877
Wt: 507.6
BDBM23901
Wt: 549.6
BDBM23902
Wt: 549.6
BDBM23903
Wt: 581.7
BDBM23904
Wt: 625.8
BDBM23905
Wt: 521.6
BDBM23906
Wt: 563.7
BDBM23907
Wt: 547.7
BDBM23908
Wt: 589.7
BDBM23909
Wt: 591.7
BDBM23910

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 75 hits for monomerid = 23880,23882,23912,23913,23877,23901,23902,23903,23904,23905,23906,23907,23908,23909,23910   
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
Matriptase


(Homo sapiens (human))
BDBM23913
PNG
(3-amidinophenylalanine deriv., 56 | 3-carbamimidam...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(NC(=O)CCN=C(N)N)cc1
Show InChI InChI=1S/C28H41N11O4S/c29-25(30)20-3-1-2-19(16-20)17-23(26(41)39-14-10-18(11-15-39)8-12-35-27(31)32)38-44(42,43)22-6-4-21(5-7-22)37-24(40)9-13-36-28(33)34/h1-7,16,18,23,38H,8-15,17H2,(H3,29,30)(H,37,40)(H4,31,32,35)(H4,33,34,36)/t23-/m0/s1
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8.70n/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))
BDBM23910
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H37N7O4S/c31-28(32)23-6-4-5-22(19-23)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-42(39,40)26-11-9-25(10-12-26)41-24-7-2-1-3-8-24/h1-12,19,21,27,36H,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/m0/s1
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38n/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))
BDBM23907
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropyl)piperidin-1-...)
Show SMILES NC(N)=NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H37N7O3S/c30-27(31)24-9-3-5-21(17-24)18-26(28(37)36-15-12-20(13-16-36)6-4-14-34-29(32)33)35-40(38,39)25-11-10-22-7-1-2-8-23(22)19-25/h1-3,5,7-11,17,19-20,26,35H,4,6,12-16,18H2,(H3,30,31)(H4,32,33,34)/t26-/m0/s1
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42n/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))
BDBM23877
PNG
(3-[(2S)-2-(anthracene-2-sulfonamido)-3-[4-(3-carba...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1
Show InChI InChI=1S/C32H36N8O4S/c33-30(34)25-7-3-4-21(16-25)17-28(31(42)40-14-12-39(13-15-40)29(41)10-11-37-32(35)36)38-45(43,44)27-9-8-24-18-22-5-1-2-6-23(22)19-26(24)20-27/h1-9,16,18-20,28,38H,10-15,17H2,(H3,33,34)(H4,35,36,37)/t28-/m0/s1
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44 -10.0n/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)
Matriptase


(Homo sapiens (human))
BDBM23909
PNG
(3-amidinophenylalanine deriv., 52 | 4-{1-[(2S)-3-(...)
Show SMILES NC(=N)N1CCC(CC1)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C31H39N7O3S/c32-29(33)26-7-3-4-21(18-26)19-28(36-42(40,41)27-9-8-22-5-1-2-6-25(22)20-27)30(39)37-14-10-23(11-15-37)24-12-16-38(17-13-24)31(34)35/h1-9,18,20,23-24,28,36H,10-17,19H2,(H3,32,33)(H3,34,35)/t28-/m0/s1
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45n/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))
BDBM23902
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N7O3S/c29-26(30)23-7-3-4-20(16-23)17-25(27(36)35-14-11-19(12-15-35)10-13-33-28(31)32)34-39(37,38)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t25-/m0/s1
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46n/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)
Thrombin


(Bos taurus (Bovine))
BDBM23904
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C30H43N7O3S/c31-28(32)25-8-4-5-22(19-25)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-41(39,40)26-11-9-24(10-12-26)23-6-2-1-3-7-23/h4-5,8-12,19,21,23,27,36H,1-3,6-7,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/m0/s1
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51n/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))
BDBM23912
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C30H38N8O3S/c31-28(32)25-3-1-2-24(19-25)20-27(29(39)38-16-11-21(12-17-38)10-15-36-30(33)34)37-42(40,41)26-6-4-22(5-7-26)18-23-8-13-35-14-9-23/h1-9,13-14,19,21,27,37H,10-12,15-18,20H2,(H3,31,32)(H4,33,34,36)/t27-/m0/s1
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53n/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))
BDBM23903
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H35N7O3S/c29-26(30)22-8-3-5-20(17-22)18-24(27(36)35-15-12-19(13-16-35)11-14-33-28(31)32)34-39(37,38)25-10-4-7-21-6-1-2-9-23(21)25/h1-10,17,19,24,34H,11-16,18H2,(H3,29,30)(H4,31,32,33)/t24-/m0/s1
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72n/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))
BDBM23904
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C30H43N7O3S/c31-28(32)25-8-4-5-22(19-25)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-41(39,40)26-11-9-24(10-12-26)23-6-2-1-3-7-23/h4-5,8-12,19,21,23,27,36H,1-3,6-7,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/m0/s1
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88n/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))
BDBM23905
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN=C(N)N)CC1
Show InChI InChI=1S/C33H51N7O3S/c1-20(2)26-18-27(21(3)4)30(28(19-26)22(5)6)44(42,43)39-29(17-24-8-7-9-25(16-24)31(34)35)32(41)40-14-11-23(12-15-40)10-13-38-33(36)37/h7-9,16,18-23,29,39H,10-15,17H2,1-6H3,(H3,34,35)(H4,36,37,38)/t29-/m0/s1
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89n/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))
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)
Thrombin


(Bos taurus (Bovine))
BDBM23902
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N7O3S/c29-26(30)23-7-3-4-20(16-23)17-25(27(36)35-14-11-19(12-15-35)10-13-33-28(31)32)34-39(37,38)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/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
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)
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)
Thrombin


(Bos taurus (Bovine))
BDBM23907
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropyl)piperidin-1-...)
Show SMILES NC(N)=NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H37N7O3S/c30-27(31)24-9-3-5-21(17-24)18-26(28(37)36-15-12-20(13-16-36)6-4-14-34-29(32)33)35-40(38,39)25-11-10-22-7-1-2-8-23(22)19-25/h1-3,5,7-11,17,19-20,26,35H,4,6,12-16,18H2,(H3,30,31)(H4,32,33,34)/t26-/m0/s1
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170n/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))
BDBM23903
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H35N7O3S/c29-26(30)22-8-3-5-20(17-22)18-24(27(36)35-15-12-19(13-16-35)11-14-33-28(31)32)34-39(37,38)25-10-4-7-21-6-1-2-9-23(21)25/h1-10,17,19,24,34H,11-16,18H2,(H3,29,30)(H4,31,32,33)/t24-/m0/s1
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190n/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)
Thrombin


(Bos taurus (Bovine))
BDBM23910
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H37N7O4S/c31-28(32)23-6-4-5-22(19-23)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-42(39,40)26-11-9-25(10-12-26)41-24-7-2-1-3-8-24/h1-12,19,21,27,36H,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/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
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))
BDBM23912
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C30H38N8O3S/c31-28(32)25-3-1-2-24(19-25)20-27(29(39)38-16-11-21(12-17-38)10-15-36-30(33)34)37-42(40,41)26-6-4-22(5-7-26)18-23-8-13-35-14-9-23/h1-9,13-14,19,21,27,37H,10-12,15-18,20H2,(H3,31,32)(H4,33,34,36)/t27-/m0/s1
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270n/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))
BDBM23905
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN=C(N)N)CC1
Show InChI InChI=1S/C33H51N7O3S/c1-20(2)26-18-27(21(3)4)30(28(19-26)22(5)6)44(42,43)39-29(17-24-8-7-9-25(16-24)31(34)35)32(41)40-14-11-23(12-15-40)10-13-38-33(36)37/h7-9,16,18-23,29,39H,10-15,17H2,1-6H3,(H3,34,35)(H4,36,37,38)/t29-/m0/s1
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300n/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))
BDBM23905
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN=C(N)N)CC1
Show InChI InChI=1S/C33H51N7O3S/c1-20(2)26-18-27(21(3)4)30(28(19-26)22(5)6)44(42,43)39-29(17-24-8-7-9-25(16-24)31(34)35)32(41)40-14-11-23(12-15-40)10-13-38-33(36)37/h7-9,16,18-23,29,39H,10-15,17H2,1-6H3,(H3,34,35)(H4,36,37,38)/t29-/m0/s1
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320n/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))
BDBM23882
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)c1cccc2ccccc12
Show InChI InChI=1S/C28H34N8O4S/c29-26(30)21-8-3-5-19(17-21)18-23(34-41(39,40)24-10-4-7-20-6-1-2-9-22(20)24)27(38)36-15-13-35(14-16-36)25(37)11-12-33-28(31)32/h1-10,17,23,34H,11-16,18H2,(H3,29,30)(H4,31,32,33)/t23-/m0/s1
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340 -8.82n/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)
Thrombin


(Bos taurus (Bovine))
BDBM23877
PNG
(3-[(2S)-2-(anthracene-2-sulfonamido)-3-[4-(3-carba...)
Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1
Show InChI InChI=1S/C32H36N8O4S/c33-30(34)25-7-3-4-21(16-25)17-28(31(42)40-14-12-39(13-15-40)29(41)10-11-37-32(35)36)38-45(43,44)27-9-8-24-18-22-5-1-2-6-23(22)19-26(24)20-27/h1-9,16,18-20,28,38H,10-15,17H2,(H3,33,34)(H4,35,36,37)/t28-/m0/s1
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460n/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))
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23913
PNG
(3-amidinophenylalanine deriv., 56 | 3-carbamimidam...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(NC(=O)CCN=C(N)N)cc1
Show InChI InChI=1S/C28H41N11O4S/c29-25(30)20-3-1-2-19(16-20)17-23(26(41)39-14-10-18(11-15-39)8-12-35-27(31)32)38-44(42,43)22-6-4-21(5-7-22)37-24(40)9-13-36-28(33)34/h1-7,16,18,23,38H,8-15,17H2,(H3,29,30)(H,37,40)(H4,31,32,35)(H4,33,34,36)/t23-/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
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
Plasminogen


(Homo sapiens (human))
BDBM23910
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H37N7O4S/c31-28(32)23-6-4-5-22(19-23)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-42(39,40)26-11-9-25(10-12-26)41-24-7-2-1-3-8-24/h1-12,19,21,27,36H,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/m0/s1
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760n/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))
BDBM23912
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C30H38N8O3S/c31-28(32)25-3-1-2-24(19-25)20-27(29(39)38-16-11-21(12-17-38)10-15-36-30(33)34)37-42(40,41)26-6-4-22(5-7-26)18-23-8-13-35-14-9-23/h1-9,13-14,19,21,27,37H,10-12,15-18,20H2,(H3,31,32)(H4,33,34,36)/t27-/m0/s1
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840n/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))
BDBM23905
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN=C(N)N)CC1
Show InChI InChI=1S/C33H51N7O3S/c1-20(2)26-18-27(21(3)4)30(28(19-26)22(5)6)44(42,43)39-29(17-24-8-7-9-25(16-24)31(34)35)32(41)40-14-11-23(12-15-40)10-13-38-33(36)37/h7-9,16,18-23,29,39H,10-15,17H2,1-6H3,(H3,34,35)(H4,36,37,38)/t29-/m0/s1
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1.00E+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
Factor Xa (fXa)


(Bos taurus)
BDBM23910
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H37N7O4S/c31-28(32)23-6-4-5-22(19-23)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-42(39,40)26-11-9-25(10-12-26)41-24-7-2-1-3-8-24/h1-12,19,21,27,36H,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/m0/s1
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1.00E+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))
BDBM23913
PNG
(3-amidinophenylalanine deriv., 56 | 3-carbamimidam...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(NC(=O)CCN=C(N)N)cc1
Show InChI InChI=1S/C28H41N11O4S/c29-25(30)20-3-1-2-19(16-20)17-23(26(41)39-14-10-18(11-15-39)8-12-35-27(31)32)38-44(42,43)22-6-4-21(5-7-22)37-24(40)9-13-36-28(33)34/h1-7,16,18,23,38H,8-15,17H2,(H3,29,30)(H,37,40)(H4,31,32,35)(H4,33,34,36)/t23-/m0/s1
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1.20E+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
Plasminogen


(Homo sapiens (human))
BDBM23907
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropyl)piperidin-1-...)
Show SMILES NC(N)=NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H37N7O3S/c30-27(31)24-9-3-5-21(17-24)18-26(28(37)36-15-12-20(13-16-36)6-4-14-34-29(32)33)35-40(38,39)25-11-10-22-7-1-2-8-23(22)19-25/h1-3,5,7-11,17,19-20,26,35H,4,6,12-16,18H2,(H3,30,31)(H4,32,33,34)/t26-/m0/s1
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1.20E+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))
BDBM23902
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N7O3S/c29-26(30)23-7-3-4-20(16-23)17-25(27(36)35-14-11-19(12-15-35)10-13-33-28(31)32)34-39(37,38)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t25-/m0/s1
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1.30E+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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23909
PNG
(3-amidinophenylalanine deriv., 52 | 4-{1-[(2S)-3-(...)
Show SMILES NC(=N)N1CCC(CC1)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C31H39N7O3S/c32-29(33)26-7-3-4-21(18-26)19-28(36-42(40,41)27-9-8-22-5-1-2-6-25(22)20-27)30(39)37-14-10-23(11-15-37)24-12-16-38(17-13-24)31(34)35/h1-9,18,20,23-24,28,36H,10-17,19H2,(H3,32,33)(H3,34,35)/t28-/m0/s1
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1.30E+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
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
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
Plasminogen


(Homo sapiens (human))
BDBM23909
PNG
(3-amidinophenylalanine deriv., 52 | 4-{1-[(2S)-3-(...)
Show SMILES NC(=N)N1CCC(CC1)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C31H39N7O3S/c32-29(33)26-7-3-4-21(18-26)19-28(36-42(40,41)27-9-8-22-5-1-2-6-25(22)20-27)30(39)37-14-10-23(11-15-37)24-12-16-38(17-13-24)31(34)35/h1-9,18,20,23-24,28,36H,10-17,19H2,(H3,32,33)(H3,34,35)/t28-/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
Plasminogen


(Homo sapiens (human))
BDBM23903
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H35N7O3S/c29-26(30)22-8-3-5-20(17-22)18-24(27(36)35-15-12-19(13-16-35)11-14-33-28(31)32)34-39(37,38)25-10-4-7-21-6-1-2-9-23(21)25/h1-10,17,19,24,34H,11-16,18H2,(H3,29,30)(H4,31,32,33)/t24-/m0/s1
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1.70E+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))
BDBM23909
PNG
(3-amidinophenylalanine deriv., 52 | 4-{1-[(2S)-3-(...)
Show SMILES NC(=N)N1CCC(CC1)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C31H39N7O3S/c32-29(33)26-7-3-4-21(18-26)19-28(36-42(40,41)27-9-8-22-5-1-2-6-25(22)20-27)30(39)37-14-10-23(11-15-37)24-12-16-38(17-13-24)31(34)35/h1-9,18,20,23-24,28,36H,10-17,19H2,(H3,32,33)(H3,34,35)/t28-/m0/s1
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1.80E+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
Factor Xa (fXa)


(Bos taurus)
BDBM23904
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C30H43N7O3S/c31-28(32)25-8-4-5-22(19-25)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-41(39,40)26-11-9-24(10-12-26)23-6-2-1-3-7-23/h4-5,8-12,19,21,23,27,36H,1-3,6-7,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/m0/s1
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1.80E+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
Thrombin


(Bos taurus (Bovine))
BDBM23913
PNG
(3-amidinophenylalanine deriv., 56 | 3-carbamimidam...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(NC(=O)CCN=C(N)N)cc1
Show InChI InChI=1S/C28H41N11O4S/c29-25(30)20-3-1-2-19(16-20)17-23(26(41)39-14-10-18(11-15-39)8-12-35-27(31)32)38-44(42,43)22-6-4-21(5-7-22)37-24(40)9-13-36-28(33)34/h1-7,16,18,23,38H,8-15,17H2,(H3,29,30)(H,37,40)(H4,31,32,35)(H4,33,34,36)/t23-/m0/s1
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1.80E+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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23904
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C30H43N7O3S/c31-28(32)25-8-4-5-22(19-25)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-41(39,40)26-11-9-24(10-12-26)23-6-2-1-3-7-23/h4-5,8-12,19,21,23,27,36H,1-3,6-7,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/m0/s1
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1.90E+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))
BDBM23904
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C30H43N7O3S/c31-28(32)25-8-4-5-22(19-25)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-41(39,40)26-11-9-24(10-12-26)23-6-2-1-3-7-23/h4-5,8-12,19,21,23,27,36H,1-3,6-7,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/m0/s1
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2.00E+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))
BDBM23907
PNG
(3-[(2S)-3-[4-(3-carbamimidamidopropyl)piperidin-1-...)
Show SMILES NC(N)=NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H37N7O3S/c30-27(31)24-9-3-5-21(17-24)18-26(28(37)36-15-12-20(13-16-36)6-4-14-34-29(32)33)35-40(38,39)25-11-10-22-7-1-2-8-23(22)19-25/h1-3,5,7-11,17,19-20,26,35H,4,6,12-16,18H2,(H3,30,31)(H4,32,33,34)/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))
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))
BDBM23910
PNG
(3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...)
Show SMILES NC(N)=NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H37N7O4S/c31-28(32)23-6-4-5-22(19-23)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-42(39,40)26-11-9-25(10-12-26)41-24-7-2-1-3-8-24/h1-12,19,21,27,36H,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/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
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Ligand-Target Pair
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