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PubMed code 10328293

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50076828
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES CNc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C30H38FN5O4S/c1-32-25-9-7-24(8-10-25)29(30(38)36-17-13-22(11-15-31)14-18-36)35-41(39,40)28-20-33-16-12-27(28)34-26(21-37)19-23-5-3-2-4-6-23/h2-10,12,16,20,22,26,29,32,35,37H,11,13-15,17-19,21H2,1H3,(H,33,34)/t26-,29-/m0/s1
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 12n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076819
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES Nc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C29H36FN5O4S/c30-14-10-21-12-16-35(17-13-21)29(37)28(23-6-8-24(31)9-7-23)34-40(38,39)27-19-32-15-11-26(27)33-25(20-36)18-22-4-2-1-3-5-22/h1-9,11,15,19,21,25,28,34,36H,10,12-14,16-18,20,31H2,(H,32,33)/t25-,28-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076823
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES NC(=N)NCC[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C26H38FN7O4S/c27-11-6-19-9-14-34(15-10-19)25(36)23(8-13-31-26(28)29)33-39(37,38)24-17-30-12-7-22(24)32-21(18-35)16-20-4-2-1-3-5-20/h1-5,7,12,17,19,21,23,33,35H,6,8-11,13-16,18H2,(H,30,32)(H4,28,29,31)/t21-,23-/m0/s1
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 16n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076837
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES Nc1cc(ccc1O)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C29H36FN5O5S/c30-12-8-20-10-14-35(15-11-20)29(38)28(22-6-7-26(37)24(31)17-22)34-41(39,40)27-18-32-13-9-25(27)33-23(19-36)16-21-4-2-1-3-5-21/h1-7,9,13,17-18,20,23,28,34,36-37H,8,10-12,14-16,19,31H2,(H,32,33)/t23-,28-/m0/s1
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 26n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076830
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES COc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C30H37FN4O5S/c1-40-26-9-7-24(8-10-26)29(30(37)35-17-13-22(11-15-31)14-18-35)34-41(38,39)28-20-32-16-12-27(28)33-25(21-36)19-23-5-3-2-4-6-23/h2-10,12,16,20,22,25,29,34,36H,11,13-15,17-19,21H2,1H3,(H,32,33)/t25-,29-/m0/s1
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 36n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076824
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@H](C(=O)N1CCC(CCF)CC1)c1ccc(O)cc1
Show InChI InChI=1S/C29H35FN4O5S/c30-14-10-21-12-16-34(17-13-21)29(37)28(23-6-8-25(36)9-7-23)33-40(38,39)27-19-31-15-11-26(27)32-24(20-35)18-22-4-2-1-3-5-22/h1-9,11,15,19,21,24,28,33,35-36H,10,12-14,16-18,20H2,(H,31,32)/t24-,28-/m0/s1
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 41n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076821
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@H](C(=O)N1CCC(CCF)CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H35FN4O6S/c31-12-8-21-10-14-35(15-11-21)30(37)29(23-6-7-26-27(17-23)41-20-40-26)34-42(38,39)28-18-32-13-9-25(28)33-24(19-36)16-22-4-2-1-3-5-22/h1-7,9,13,17-18,21,24,29,34,36H,8,10-12,14-16,19-20H2,(H,32,33)/t24-,29-/m0/s1
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 43n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076829
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@H](C(=O)N1CCC(CCF)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H37FN4O4S/c34-16-12-24-14-18-38(19-15-24)33(40)32(28-11-10-26-8-4-5-9-27(26)21-28)37-43(41,42)31-22-35-17-13-30(31)36-29(23-39)20-25-6-2-1-3-7-25/h1-11,13,17,21-22,24,29,32,37,39H,12,14-16,18-20,23H2,(H,35,36)/t29-,32-/m0/s1
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 69n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076822
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@H](C(=O)N1CCC(CCF)CC1)c1ccccn1
Show InChI InChI=1S/C28H34FN5O4S/c29-13-9-21-11-16-34(17-12-21)28(36)27(25-8-4-5-14-31-25)33-39(37,38)26-19-30-15-10-24(26)32-23(20-35)18-22-6-2-1-3-7-22/h1-8,10,14-15,19,21,23,27,33,35H,9,11-13,16-18,20H2,(H,30,32)/t23-,27-/m0/s1
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 81n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076825
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@H](C(=O)N1CCC(CCF)CC1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H35FN4O6S/c30-12-8-20-10-14-34(15-11-20)29(38)28(22-6-7-25(36)26(37)17-22)33-41(39,40)27-18-31-13-9-24(27)32-23(19-35)16-21-4-2-1-3-5-21/h1-7,9,13,17-18,20,23,28,33,35-37H,8,10-12,14-16,19H2,(H,31,32)/t23-,28-/m0/s1
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 82n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076836
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@H](C(=O)N1CCC(CCF)CC1)c1ccccc1
Show InChI InChI=1S/C29H35FN4O4S/c30-15-11-22-13-17-34(18-14-22)29(36)28(24-9-5-2-6-10-24)33-39(37,38)27-20-31-16-12-26(27)32-25(21-35)19-23-7-3-1-4-8-23/h1-10,12,16,20,22,25,28,33,35H,11,13-15,17-19,21H2,(H,31,32)/t25-,28-/m0/s1
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 100n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076834
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@H](C(=O)N1CCC(CCF)CC1)c1cscn1
Show InChI InChI=1S/C26H32FN5O4S2/c27-10-6-19-8-12-32(13-9-19)26(34)25(23-17-37-18-29-23)31-38(35,36)24-15-28-11-7-22(24)30-21(16-33)14-20-4-2-1-3-5-20/h1-5,7,11,15,17-19,21,25,31,33H,6,8-10,12-14,16H2,(H,28,30)/t21-,25-/m0/s1
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 280n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076835
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES CCNc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C31H40FN5O4S/c1-2-34-26-10-8-25(9-11-26)30(31(39)37-18-14-23(12-16-32)15-19-37)36-42(40,41)29-21-33-17-13-28(29)35-27(22-38)20-24-6-4-3-5-7-24/h3-11,13,17,21,23,27,30,34,36,38H,2,12,14-16,18-20,22H2,1H3,(H,33,35)/t27-,30-/m0/s1
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 575n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076820
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@H](C(=O)N1CCC(CCF)CC1)c1ccncc1
Show InChI InChI=1S/C28H34FN5O4S/c29-12-6-21-10-16-34(17-11-21)28(36)27(23-7-13-30-14-8-23)33-39(37,38)26-19-31-15-9-25(26)32-24(20-35)18-22-4-2-1-3-5-22/h1-5,7-9,13-15,19,21,24,27,33,35H,6,10-12,16-18,20H2,(H,31,32)/t24-,27-/m0/s1
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 1.54E+3n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076818
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@H](C(=O)N1CCC(CCF)CC1)c1cccnc1
Show InChI InChI=1S/C28H34FN5O4S/c29-12-8-21-10-15-34(16-11-21)28(36)27(23-7-4-13-30-18-23)33-39(37,38)26-19-31-14-9-25(26)32-24(20-35)17-22-5-2-1-3-6-22/h1-7,9,13-14,18-19,21,24,27,33,35H,8,10-12,15-17,20H2,(H,31,32)/t24-,27-/m0/s1
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 1.61E+3n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076827
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES NCCCC[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C27H40FN5O4S/c28-13-9-21-11-16-33(17-12-21)27(35)25(8-4-5-14-29)32-38(36,37)26-19-30-15-10-24(26)31-23(20-34)18-22-6-2-1-3-7-22/h1-3,6-7,10,15,19,21,23,25,32,34H,4-5,8-9,11-14,16-18,20,29H2,(H,30,31)/t23-,25-/m0/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076826
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C26H37FN4O4S/c1-19(2)25(26(33)31-14-10-20(8-12-27)11-15-31)30-36(34,35)24-17-28-13-9-23(24)29-22(18-32)16-21-6-4-3-5-7-21/h3-7,9,13,17,19-20,22,25,30,32H,8,10-12,14-16,18H2,1-2H3,(H,28,29)/t22-,25-/m0/s1
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 6.51E+3n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076832
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C29H41FN4O4S/c30-15-11-22-13-17-34(18-14-22)29(36)28(24-9-5-2-6-10-24)33-39(37,38)27-20-31-16-12-26(27)32-25(21-35)19-23-7-3-1-4-8-23/h1,3-4,7-8,12,16,20,22,24-25,28,33,35H,2,5-6,9-11,13-15,17-19,21H2,(H,31,32)/t25-,28-/m0/s1
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 1.18E+4n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076831
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C27H39FN4O4S/c1-20(2)16-25(27(34)32-14-10-21(8-12-28)11-15-32)31-37(35,36)26-18-29-13-9-24(26)30-23(19-33)17-22-6-4-3-5-7-22/h3-7,9,13,18,20-21,23,25,31,33H,8,10-12,14-17,19H2,1-2H3,(H,29,30)/t23-,25-/m0/s1
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 1.19E+4n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50076819
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES Nc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C29H36FN5O4S/c30-14-10-21-12-16-35(17-13-21)29(37)28(23-6-8-24(31)9-7-23)34-40(38,39)27-19-32-15-11-26(27)33-25(20-36)18-22-4-2-1-3-5-22/h1-9,11,15,19,21,25,28,34,36H,10,12-14,16-18,20,31H2,(H,32,33)/t25-,28-/m0/s1
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 2.52E+4n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against against human trypsin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50076833
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES C[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C24H33FN4O4S/c1-18(24(31)29-13-9-19(7-11-25)10-14-29)28-34(32,33)23-16-26-12-8-22(23)27-21(17-30)15-20-5-3-2-4-6-20/h2-6,8,12,16,18-19,21,28,30H,7,9-11,13-15,17H2,1H3,(H,26,27)/t18-,21-/m0/s1
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 4.99E+4n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50076819
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES Nc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C29H36FN5O4S/c30-14-10-21-12-16-35(17-13-21)29(37)28(23-6-8-24(31)9-7-23)34-40(38,39)27-19-32-15-11-26(27)33-25(20-36)18-22-4-2-1-3-5-22/h1-9,11,15,19,21,25,28,34,36H,10,12-14,16-18,20,31H2,(H,32,33)/t25-,28-/m0/s1
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>8.60E+4n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against against human plasmin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens (Human))		BDBM50076819
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES Nc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C29H36FN5O4S/c30-14-10-21-12-16-35(17-13-21)29(37)28(23-6-8-24(31)9-7-23)34-40(38,39)27-19-32-15-11-26(27)33-25(20-36)18-22-4-2-1-3-5-22/h1-9,11,15,19,21,25,28,34,36H,10,12-14,16-18,20,31H2,(H,32,33)/t25-,28-/m0/s1
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 1.15E+5n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated against against human chymotrypsin

Bioorg Med Chem Lett 9: 1103-8 (1999)


BindingDB Entry DOI: 10.7270/Q2SB44XG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%