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PubMed code 10201839

Compile data set for download or QSAR
Found 22 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))		BDBM50073283
PNG
(4-[(S)-1-Hydroxymethyl-2-(4-methoxy-phenyl)-ethyla...)
Show SMILES COc1ccc(C[C@@H](CO)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N2CCC(CCF)CC2)cc1
Show InChI InChI=1S/C31H40FN5O5S/c1-42-27-8-4-23(5-9-27)18-26(21-38)35-28-11-15-34-20-30(28)43(40,41)36-29(19-24-2-6-25(33)7-3-24)31(39)37-16-12-22(10-14-32)13-17-37/h2-9,11,15,20,22,26,29,36,38H,10,12-14,16-19,21,33H2,1H3,(H,34,35)/t26-,29-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50073283
PNG
(4-[(S)-1-Hydroxymethyl-2-(4-methoxy-phenyl)-ethyla...)
Show SMILES COc1ccc(C[C@@H](CO)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N2CCC(CCF)CC2)cc1
Show InChI InChI=1S/C31H40FN5O5S/c1-42-27-8-4-23(5-9-27)18-26(21-38)35-28-11-15-34-20-30(28)43(40,41)36-29(19-24-2-6-25(33)7-3-24)31(39)37-16-12-22(10-14-32)13-17-37/h2-9,11,15,20,22,26,29,36,38H,10,12-14,16-19,21,33H2,1H3,(H,34,35)/t26-,29-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50073297
PNG
(4-[(S)-1-(4-Hydroxy-piperidin-1-ylmethyl)-2-phenyl...)
Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CN2CCC(O)CC2)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
Show InChI InChI=1S/C35H47FN6O4S/c36-16-10-26-12-20-42(21-13-26)35(44)33(23-28-6-8-29(37)9-7-28)40-47(45,46)34-24-38-17-11-32(34)39-30(22-27-4-2-1-3-5-27)25-41-18-14-31(43)15-19-41/h1-9,11,17,24,26,30-31,33,40,43H,10,12-16,18-23,25,37H2,(H,38,39)/t30-,33-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50073298
PNG
(4-((S)-1-Benzyl-2-morpholin-4-yl-ethylamino)-pyrid...)
Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CN2CCOCC2)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
Show InChI InChI=1S/C34H45FN6O4S/c35-14-10-26-12-16-41(17-13-26)34(42)32(23-28-6-8-29(36)9-7-28)39-46(43,44)33-24-37-15-11-31(33)38-30(22-27-4-2-1-3-5-27)25-40-18-20-45-21-19-40/h1-9,11,15,24,26,30,32,39H,10,12-14,16-23,25,36H2,(H,37,38)/t30-,32-/m0/s1
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 22n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50073298
PNG
(4-((S)-1-Benzyl-2-morpholin-4-yl-ethylamino)-pyrid...)
Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CN2CCOCC2)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
Show InChI InChI=1S/C34H45FN6O4S/c35-14-10-26-12-16-41(17-13-26)34(42)32(23-28-6-8-29(36)9-7-28)39-46(43,44)33-24-37-15-11-31(33)38-30(22-27-4-2-1-3-5-27)25-40-18-20-45-21-19-40/h1-9,11,15,24,26,30,32,39H,10,12-14,16-23,25,36H2,(H,37,38)/t30-,32-/m0/s1
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 22n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50073294
PNG
(4-((S)-1-Benzyl-2-dimethylamino-ethylamino)-pyridi...)
Show SMILES CN(C)C[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C32H43FN6O3S/c1-38(2)23-28(20-25-6-4-3-5-7-25)36-29-13-17-35-22-31(29)43(41,42)37-30(21-26-8-10-27(34)11-9-26)32(40)39-18-14-24(12-16-33)15-19-39/h3-11,13,17,22,24,28,30,37H,12,14-16,18-21,23,34H2,1-2H3,(H,35,36)/t28-,30-/m0/s1
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 24n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50075870
PNG
(4-[(S)-1-(2-Hydroxy-ethoxymethyl)-2-phenyl-ethylam...)
Show SMILES OCCOC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CCCl)CC1
Show InChI InChI=1S/C32H41ClN4O6S/c33-14-10-24-12-16-37(17-13-24)32(40)30(21-26-6-8-28(39)9-7-26)36-44(41,42)31-22-34-15-11-29(31)35-27(23-43-19-18-38)20-25-4-2-1-3-5-25/h1-9,11,15,22,24,27,30,36,38-39H,10,12-14,16-21,23H2,(H,34,35)/t27-,30-/m0/s1
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 28n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50073295
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
Show InChI InChI=1S/C30H38FN5O4S/c31-14-10-22-12-16-36(17-13-22)30(38)28(19-24-6-8-25(32)9-7-24)35-41(39,40)29-20-33-15-11-27(29)34-26(21-37)18-23-4-2-1-3-5-23/h1-9,11,15,20,22,26,28,35,37H,10,12-14,16-19,21,32H2,(H,33,34)/t26-,28-/m0/s1
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 39n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50073295
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
Show InChI InChI=1S/C30H38FN5O4S/c31-14-10-22-12-16-36(17-13-22)30(38)28(19-24-6-8-25(32)9-7-24)35-41(39,40)29-20-33-15-11-27(29)34-26(21-37)18-23-4-2-1-3-5-23/h1-9,11,15,20,22,26,28,35,37H,10,12-14,16-19,21,32H2,(H,33,34)/t26-,28-/m0/s1
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 39n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50075873
PNG
(4-[(S)-1-Hydroxymethyl-2-(4-methoxy-phenyl)-ethyla...)
Show SMILES CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccc(OC)cc1
Show InChI InChI=1S/C31H41N5O5S/c1-3-22-13-16-36(17-14-22)31(38)29(19-24-4-8-25(32)9-5-24)35-42(39,40)30-20-33-15-12-28(30)34-26(21-37)18-23-6-10-27(41-2)11-7-23/h4-12,15,20,22,26,29,35,37H,3,13-14,16-19,21,32H2,1-2H3,(H,33,34)/t26-,29-/m0/s1
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 40n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50073292
PNG
(4-[(S)-1-(2-Hydroxy-ethoxymethyl)-2-phenyl-ethylam...)
Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](COCCO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
Show InChI InChI=1S/C32H42FN5O5S/c33-14-10-24-12-16-38(17-13-24)32(40)30(21-26-6-8-27(34)9-7-26)37-44(41,42)31-22-35-15-11-29(31)36-28(23-43-19-18-39)20-25-4-2-1-3-5-25/h1-9,11,15,22,24,28,30,37,39H,10,12-14,16-21,23,34H2,(H,35,36)/t28-,30-/m0/s1
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 49n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50073292
PNG
(4-[(S)-1-(2-Hydroxy-ethoxymethyl)-2-phenyl-ethylam...)
Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](COCCO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
Show InChI InChI=1S/C32H42FN5O5S/c33-14-10-24-12-16-38(17-13-24)32(40)30(21-26-6-8-27(34)9-7-26)37-44(41,42)31-22-35-15-11-29(31)36-28(23-43-19-18-39)20-25-4-2-1-3-5-25/h1-9,11,15,22,24,28,30,37,39H,10,12-14,16-21,23,34H2,(H,35,36)/t28-,30-/m0/s1
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 49n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50075871
PNG
(4-[(S)-1-(4-Hydroxy-piperidin-1-ylmethyl)-2-phenyl...)
Show SMILES OC1CCN(C[C@H](Cc2ccccc2)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCF)CC2)CC1
Show InChI InChI=1S/C35H46FN5O4S/c36-17-11-27-13-21-41(22-14-27)35(43)33(24-29-9-5-2-6-10-29)39-46(44,45)34-25-37-18-12-32(34)38-30(23-28-7-3-1-4-8-28)26-40-19-15-31(42)16-20-40/h1-10,12,18,25,27,30-31,33,39,42H,11,13-17,19-24,26H2,(H,37,38)/t30-,33-/m0/s1
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 61n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50075868
PNG
(4-((S)-1-Morpholin-4-ylmethyl-2-phenyl-ethylamino)...)
Show SMILES CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](CN1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C34H46N6O4S/c1-2-26-13-16-40(17-14-26)34(41)32(23-28-8-10-29(35)11-9-28)38-45(42,43)33-24-36-15-12-31(33)37-30(22-27-6-4-3-5-7-27)25-39-18-20-44-21-19-39/h3-12,15,24,26,30,32,38H,2,13-14,16-23,25,35H2,1H3,(H,36,37)/t30-,32-/m0/s1
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 62n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50075874
PNG
(4-[(S)-1-Hydroxymethyl-2-(4-methoxy-phenyl)-ethyla...)
Show SMILES COc1ccc(C[C@@H](CO)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
Show InChI InChI=1S/C31H39FN4O5S/c1-41-27-9-7-25(8-10-27)19-26(22-37)34-28-12-16-33-21-30(28)42(39,40)35-29(20-24-5-3-2-4-6-24)31(38)36-17-13-23(11-15-32)14-18-36/h2-10,12,16,21,23,26,29,35,37H,11,13-15,17-20,22H2,1H3,(H,33,34)/t26-,29-/m0/s1
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 85n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50073301
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES OC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C30H37FN4O4S/c31-15-11-23-13-17-35(18-14-23)30(37)28(20-25-9-5-2-6-10-25)34-40(38,39)29-21-32-16-12-27(29)33-26(22-36)19-24-7-3-1-4-8-24/h1-10,12,16,21,23,26,28,34,36H,11,13-15,17-20,22H2,(H,32,33)/t26-,28-/m0/s1
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 100n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50073281
PNG
(4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...)
Show SMILES CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C30H39N5O4S/c1-2-22-13-16-35(17-14-22)30(37)28(19-24-8-10-25(31)11-9-24)34-40(38,39)29-20-32-15-12-27(29)33-26(21-36)18-23-6-4-3-5-7-23/h3-12,15,20,22,26,28,34,36H,2,13-14,16-19,21,31H2,1H3,(H,32,33)/t26-,28-/m0/s1
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 110n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50075875
PNG
(4-((S)-1-Dimethylaminomethyl-2-phenyl-ethylamino)-...)
Show SMILES CN(C)C[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C32H42FN5O3S/c1-37(2)24-28(21-26-9-5-3-6-10-26)35-29-14-18-34-23-31(29)42(40,41)36-30(22-27-11-7-4-8-12-27)32(39)38-19-15-25(13-17-33)16-20-38/h3-12,14,18,23,25,28,30,36H,13,15-17,19-22,24H2,1-2H3,(H,34,35)/t28-,30-/m0/s1
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 130n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50075875
PNG
(4-((S)-1-Dimethylaminomethyl-2-phenyl-ethylamino)-...)
Show SMILES CN(C)C[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C32H42FN5O3S/c1-37(2)24-28(21-26-9-5-3-6-10-26)35-29-14-18-34-23-31(29)42(40,41)36-30(22-27-11-7-4-8-12-27)32(39)38-19-15-25(13-17-33)16-20-38/h3-12,14,18,23,25,28,30,36H,13,15-17,19-22,24H2,1-2H3,(H,34,35)/t28-,30-/m0/s1
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 130n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50075869
PNG
(4-[(S)-1-(2-Hydroxy-ethoxymethyl)-2-phenyl-ethylam...)
Show SMILES CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](COCCO)Cc1ccccc1
Show InChI InChI=1S/C32H43N5O5S/c1-2-24-13-16-37(17-14-24)32(39)30(21-26-8-10-27(33)11-9-26)36-43(40,41)31-22-34-15-12-29(31)35-28(23-42-19-18-38)20-25-6-4-3-5-7-25/h3-12,15,22,24,28,30,36,38H,2,13-14,16-21,23,33H2,1H3,(H,34,35)/t28-,30-/m0/s1
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 147n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50075869
PNG
(4-[(S)-1-(2-Hydroxy-ethoxymethyl)-2-phenyl-ethylam...)
Show SMILES CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](COCCO)Cc1ccccc1
Show InChI InChI=1S/C32H43N5O5S/c1-2-24-13-16-37(17-14-24)32(39)30(21-26-8-10-27(33)11-9-26)36-43(40,41)31-22-34-15-12-29(31)35-28(23-42-19-18-38)20-25-6-4-3-5-7-25/h3-12,15,22,24,28,30,36,38H,2,13-14,16-21,23,33H2,1H3,(H,34,35)/t28-,30-/m0/s1
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 147n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50075872
PNG
(4-[(S)-1-(2-Hydroxy-ethoxymethyl)-2-phenyl-ethylam...)
Show SMILES OCCOC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C32H41FN4O5S/c33-15-11-25-13-17-37(18-14-25)32(39)30(22-27-9-5-2-6-10-27)36-43(40,41)31-23-34-16-12-29(31)35-28(24-42-20-19-38)21-26-7-3-1-4-8-26/h1-10,12,16,23,25,28,30,36,38H,11,13-15,17-22,24H2,(H,34,35)/t28-,30-/m0/s1
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 220n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%