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Compile Data Set for Download or QSAR

Found 21 hits from BioChem Pharma Inc.   
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
Prothrombin


(Homo sapiens (Human))
BDBM50096629
PNG
(3-(4-Amino-cyclohexyl)-2-oxo-3-[((6S,8aS)-4-oxo-2-...)
Show SMILES N[C@H]1CC[C@@H](CC1)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(=O)C(O)=O
Show InChI InChI=1S/C24H32N4O7S/c25-17-8-6-16(7-9-17)21(22(30)24(32)33)26-23(31)19-11-10-18-12-27(13-20(29)28(18)19)36(34,35)14-15-4-2-1-3-5-15/h1-5,16-19,21H,6-14,25H2,(H,26,31)(H,32,33)/t16-,17-,18-,19-,21?/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha thrombin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50096623
PNG
(3-(4-Amino-cyclohexyl)-2-oxo-3-[(4-oxo-2-phenylmet...)
Show SMILES COC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C25H34N4O7S/c1-36-25(33)23(31)22(17-7-9-18(26)10-8-17)27-24(32)20-12-11-19-13-28(14-21(30)29(19)20)37(34,35)15-16-5-3-2-4-6-16/h2-6,17-20,22H,7-15,26H2,1H3,(H,27,32)/t17-,18-,19-,20-,22?/m0/s1
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0.130n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha thrombin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50096628
PNG
(3-(4-Amino-cyclohexyl)-2-oxo-3-[((6S,8aS)-4-oxo-2-...)
Show SMILES CCSC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C26H36N4O6S2/c1-2-37-26(34)24(32)23(18-8-10-19(27)11-9-18)28-25(33)21-13-12-20-14-29(15-22(31)30(20)21)38(35,36)16-17-6-4-3-5-7-17/h3-7,18-21,23H,2,8-16,27H2,1H3,(H,28,33)/t18-,19-,20-,21-,23?/m0/s1
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0.260n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha thrombin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50096620
PNG
((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...)
Show SMILES CNC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C25H35N5O6S/c1-27-25(34)23(32)22(17-7-9-18(26)10-8-17)28-24(33)20-12-11-19-13-29(14-21(31)30(19)20)37(35,36)15-16-5-3-2-4-6-16/h2-6,17-20,22H,7-15,26H2,1H3,(H,27,34)(H,28,33)/t17-,18-,19-,20-,22?/m0/s1
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0.330n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha thrombin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50096621
PNG
((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...)
Show SMILES N[C@H]1CC[C@@H](CC1)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H35N5O5S2/c31-21-12-10-20(11-13-21)27(28(37)30-32-23-8-4-5-9-25(23)41-30)33-29(38)24-15-14-22-16-34(17-26(36)35(22)24)42(39,40)18-19-6-2-1-3-7-19/h1-9,20-22,24,27H,10-18,31H2,(H,33,38)/t20-,21-,22-,24-,27?/m0/s1
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0.720n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha thrombin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50096622
PNG
(CHEMBL3084834 | {3-(4-Amino-cyclohexyl)-2-oxo-3-[(...)
Show SMILES N[C@H]1CC[C@@H](CC1)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C26H35N5O8S/c27-18-8-6-17(7-9-18)23(24(35)26(37)28-12-22(33)34)29-25(36)20-11-10-19-13-30(14-21(32)31(19)20)40(38,39)15-16-4-2-1-3-5-16/h1-5,17-20,23H,6-15,27H2,(H,28,37)(H,29,36)(H,33,34)/t17-,18-,19-,20-,23?/m0/s1
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2.10n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha thrombin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50096630
PNG
((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...)
Show SMILES N[C@H]1CC[C@@H](CC1)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C26H33N5O5S2/c27-19-8-6-18(7-9-19)23(24(33)26-28-12-13-37-26)29-25(34)21-11-10-20-14-30(15-22(32)31(20)21)38(35,36)16-17-4-2-1-3-5-17/h1-5,12-13,18-21,23H,6-11,14-16,27H2,(H,29,34)/t18-,19-,20-,21-,23?/m0/s1
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3.20n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha thrombin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50096627
PNG
((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...)
Show SMILES Cn1nnnc1C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C25H34N8O5S/c1-31-24(28-29-30-31)23(35)22(17-7-9-18(26)10-8-17)27-25(36)20-12-11-19-13-32(14-21(34)33(19)20)39(37,38)15-16-5-3-2-4-6-16/h2-6,17-20,22H,7-15,26H2,1H3,(H,27,36)/t17-,18-,19-,20-,22?/m0/s1
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5n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha thrombin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50096622
PNG
(CHEMBL3084834 | {3-(4-Amino-cyclohexyl)-2-oxo-3-[(...)
Show SMILES N[C@H]1CC[C@@H](CC1)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C26H35N5O8S/c27-18-8-6-17(7-9-18)23(24(35)26(37)28-12-22(33)34)29-25(36)20-11-10-19-13-30(14-21(32)31(19)20)40(38,39)15-16-4-2-1-3-5-16/h1-5,17-20,23H,6-15,27H2,(H,28,37)(H,29,36)(H,33,34)/t17-,18-,19-,20-,23?/m0/s1
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29n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha trypsin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50096627
PNG
((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...)
Show SMILES Cn1nnnc1C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C25H34N8O5S/c1-31-24(28-29-30-31)23(35)22(17-7-9-18(26)10-8-17)27-25(36)20-12-11-19-13-32(14-21(34)33(19)20)39(37,38)15-16-5-3-2-4-6-16/h2-6,17-20,22H,7-15,26H2,1H3,(H,27,36)/t17-,18-,19-,20-,22?/m0/s1
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35n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha trypsin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50096626
PNG
(4-{2-(4-Amino-cyclohexyl)-2-[((6S,8aS)-4-oxo-2-phe...)
Show SMILES Cc1nc(sc1C(O)=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C28H35N5O7S2/c1-16-25(28(37)38)41-27(30-16)24(35)23(18-7-9-19(29)10-8-18)31-26(36)21-12-11-20-13-32(14-22(34)33(20)21)42(39,40)15-17-5-3-2-4-6-17/h2-6,18-21,23H,7-15,29H2,1H3,(H,31,36)(H,37,38)/t18-,19-,20-,21-,23?/m0/s1
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80n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha thrombin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50096628
PNG
(3-(4-Amino-cyclohexyl)-2-oxo-3-[((6S,8aS)-4-oxo-2-...)
Show SMILES CCSC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C26H36N4O6S2/c1-2-37-26(34)24(32)23(18-8-10-19(27)11-9-18)28-25(33)21-13-12-20-14-29(15-22(31)30(20)21)38(35,36)16-17-6-4-3-5-7-17/h3-7,18-21,23H,2,8-16,27H2,1H3,(H,28,33)/t18-,19-,20-,21-,23?/m0/s1
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150n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha trypsin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50096625
PNG
((5-{2-(4-Amino-cyclohexyl)-2-[((6S,8aS)-4-oxo-2-ph...)
Show SMILES N[C@H]1CC[C@@H](CC1)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(=O)c1nnnn1CC(O)=O
Show InChI InChI=1S/C26H34N8O7S/c27-18-8-6-17(7-9-18)23(24(38)25-29-30-31-33(25)14-22(36)37)28-26(39)20-11-10-19-12-32(13-21(35)34(19)20)42(40,41)15-16-4-2-1-3-5-16/h1-5,17-20,23H,6-15,27H2,(H,28,39)(H,36,37)/t17-,18-,19-,20-,23?/m0/s1
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>400n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha trypsin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50096621
PNG
((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...)
Show SMILES N[C@H]1CC[C@@H](CC1)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H35N5O5S2/c31-21-12-10-20(11-13-21)27(28(37)30-32-23-8-4-5-9-25(23)41-30)33-29(38)24-15-14-22-16-34(17-26(36)35(22)24)42(39,40)18-19-6-2-1-3-7-19/h1-9,20-22,24,27H,10-18,31H2,(H,33,38)/t20-,21-,22-,24-,27?/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha trypsin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50096629
PNG
(3-(4-Amino-cyclohexyl)-2-oxo-3-[((6S,8aS)-4-oxo-2-...)
Show SMILES N[C@H]1CC[C@@H](CC1)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(=O)C(O)=O
Show InChI InChI=1S/C24H32N4O7S/c25-17-8-6-16(7-9-17)21(22(30)24(32)33)26-23(31)19-11-10-18-12-27(13-20(29)28(18)19)36(34,35)14-15-4-2-1-3-5-15/h1-5,16-19,21H,6-14,25H2,(H,26,31)(H,32,33)/t16-,17-,18-,19-,21?/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha trypsin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50096620
PNG
((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...)
Show SMILES CNC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C25H35N5O6S/c1-27-25(34)23(32)22(17-7-9-18(26)10-8-17)28-24(33)20-12-11-19-13-29(14-21(31)30(19)20)37(35,36)15-16-5-3-2-4-6-16/h2-6,17-20,22H,7-15,26H2,1H3,(H,27,34)(H,28,33)/t17-,18-,19-,20-,22?/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha trypsin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50096625
PNG
((5-{2-(4-Amino-cyclohexyl)-2-[((6S,8aS)-4-oxo-2-ph...)
Show SMILES N[C@H]1CC[C@@H](CC1)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(=O)c1nnnn1CC(O)=O
Show InChI InChI=1S/C26H34N8O7S/c27-18-8-6-17(7-9-18)23(24(38)25-29-30-31-33(25)14-22(36)37)28-26(39)20-11-10-19-12-32(13-21(35)34(19)20)42(40,41)15-16-4-2-1-3-5-16/h1-5,17-20,23H,6-15,27H2,(H,28,39)(H,36,37)/t17-,18-,19-,20-,23?/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha thrombin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50096630
PNG
((6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-p...)
Show SMILES N[C@H]1CC[C@@H](CC1)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C26H33N5O5S2/c27-19-8-6-18(7-9-19)23(24(33)26-28-12-13-37-26)29-25(34)21-11-10-20-14-30(15-22(32)31(20)21)38(35,36)16-17-4-2-1-3-5-17/h1-5,12-13,18-21,23H,6-11,14-16,27H2,(H,29,34)/t18-,19-,20-,21-,23?/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha trypsin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50096626
PNG
(4-{2-(4-Amino-cyclohexyl)-2-[((6S,8aS)-4-oxo-2-phe...)
Show SMILES Cc1nc(sc1C(O)=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C28H35N5O7S2/c1-16-25(28(37)38)41-27(30-16)24(35)23(18-7-9-19(29)10-8-18)31-26(36)21-12-11-20-13-32(14-22(34)33(20)21)42(39,40)15-17-5-3-2-4-6-17/h2-6,18-21,23H,7-15,29H2,1H3,(H,31,36)(H,37,38)/t18-,19-,20-,21-,23?/m0/s1
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6.50E+4n/an/an/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha trypsin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50096624
PNG
(3-(4-Amino-cyclohexyl)-2-oxo-3-[((6S,8aS)-4-oxo-2-...)
Show SMILES CCCCOC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C28H40N4O7S/c1-2-3-15-39-28(36)26(34)25(20-9-11-21(29)12-10-20)30-27(35)23-14-13-22-16-31(17-24(33)32(22)23)40(37,38)18-19-7-5-4-6-8-19/h4-8,20-23,25H,2-3,9-18,29H2,1H3,(H,30,35)/t20-,21-,22-,23-,25?/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity of the compound against human alpha thrombin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50096624
PNG
(3-(4-Amino-cyclohexyl)-2-oxo-3-[((6S,8aS)-4-oxo-2-...)
Show SMILES CCCCOC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C28H40N4O7S/c1-2-3-15-39-28(36)26(34)25(20-9-11-21(29)12-10-20)30-27(35)23-14-13-22-16-31(17-24(33)32(22)23)40(37,38)18-19-7-5-4-6-8-19/h4-8,20-23,25H,2-3,9-18,29H2,1H3,(H,30,35)/t20-,21-,22-,23-,25?/m0/s1
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n/an/a 550n/an/an/an/an/an/a



BioChem Pharma Inc.

Curated by ChEMBL


Assay Description
In vitro activity against human alpha trypsin was determined


Bioorg Med Chem Lett 11: 287-90 (2001)


Article DOI: 10.1016/s0960-894x(00)00636-3
BindingDB Entry DOI: 10.7270/Q2P55MS6
More data for this
Ligand-Target Pair