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PubMed code 12270173

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))
BDBM50119079
PNG
((6R,8aS)-6-Benzyl-6-hydroxy-5-oxo-octahydro-indoli...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2CC[C@H]3CC[C@@](O)(Cc4ccccc4)C(=O)N23)cc1
Show InChI InChI=1S/C24H28N4O3/c25-21(26)18-8-6-17(7-9-18)15-27-22(29)20-11-10-19-12-13-24(31,23(30)28(19)20)14-16-4-2-1-3-5-16/h1-9,19-20,31H,10-15H2,(H3,25,26)(H,27,29)/t19-,20?,24+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Thrombin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50119079
PNG
((6R,8aS)-6-Benzyl-6-hydroxy-5-oxo-octahydro-indoli...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2CC[C@H]3CC[C@@](O)(Cc4ccccc4)C(=O)N23)cc1
Show InChI InChI=1S/C24H28N4O3/c25-21(26)18-8-6-17(7-9-18)15-27-22(29)20-11-10-19-12-13-24(31,23(30)28(19)20)14-16-4-2-1-3-5-16/h1-9,19-20,31H,10-15H2,(H3,25,26)(H,27,29)/t19-,20?,24+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Thrombin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50085449
PNG
((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...)
Show SMILES CO[C@H]1C[C@@](O)(Cc2ccccc2)C(=O)N2[C@H]1CC[C@H]2C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H30N4O4/c1-33-21-14-25(32,13-16-5-3-2-4-6-16)24(31)29-19(21)11-12-20(29)23(30)28-15-17-7-9-18(10-8-17)22(26)27/h2-10,19-21,32H,11-15H2,1H3,(H3,26,27)(H,28,30)/t19-,20-,21-,25-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Thrombin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50119077
PNG
((1R,6S,8S,8aS)-6-Amino-6-cyclohex-1-enylmethyl-1-e...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(CC1=CCCCC1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H39N5O3/c1-3-19-13-21(25(33)31-16-18-9-11-20(12-10-18)24(28)29)32-23(19)22(35-2)15-27(30,26(32)34)14-17-7-5-4-6-8-17/h7,9-12,19,21-23H,3-6,8,13-16,30H2,1-2H3,(H3,28,29)(H,31,33)/t19-,21?,22+,23+,27+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Thrombin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50119078
PNG
((1R,6S,8S,8aS)-6-Amino-6-benzyl-1-ethyl-8-methoxy-...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(Cc1ccccc1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H35N5O3/c1-3-19-13-21(25(33)31-16-18-9-11-20(12-10-18)24(28)29)32-23(19)22(35-2)15-27(30,26(32)34)14-17-7-5-4-6-8-17/h4-12,19,21-23H,3,13-16,30H2,1-2H3,(H3,28,29)(H,31,33)/t19-,21?,22+,23+,27+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Thrombin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50085450
PNG
((3S,6S,8aS)-6-Hydroxy-6-methyl-5-oxo-octahydro-ind...)
Show SMILES C[C@]1(O)CC[C@@H]2CC[C@H](N2C1=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H24N4O3/c1-18(25)9-8-13-6-7-14(22(13)17(18)24)16(23)21-10-11-2-4-12(5-3-11)15(19)20/h2-5,13-14,25H,6-10H2,1H3,(H3,19,20)(H,21,23)/t13-,14-,18-/m0/s1
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Thrombin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50119076
PNG
((1R,6S,8S,8aS)-6-Amino-1-ethyl-8-methoxy-6-(2-meth...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(CC(C)=C)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H35N5O3/c1-5-16-10-18(22(30)28-13-15-6-8-17(9-7-15)21(25)26)29-20(16)19(32-4)12-24(27,23(29)31)11-14(2)3/h6-9,16,18-20H,2,5,10-13,27H2,1,3-4H3,(H3,25,26)(H,28,30)/t16-,18?,19+,20+,24+/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Thrombin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119078
PNG
((1R,6S,8S,8aS)-6-Amino-6-benzyl-1-ethyl-8-methoxy-...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(Cc1ccccc1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H35N5O3/c1-3-19-13-21(25(33)31-16-18-9-11-20(12-10-18)24(28)29)32-23(19)22(35-2)15-27(30,26(32)34)14-17-7-5-4-6-8-17/h4-12,19,21-23H,3,13-16,30H2,1-2H3,(H3,28,29)(H,31,33)/t19-,21?,22+,23+,27+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Coagulation factor VIIa


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50085449
PNG
((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...)
Show SMILES CO[C@H]1C[C@@](O)(Cc2ccccc2)C(=O)N2[C@H]1CC[C@H]2C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H30N4O4/c1-33-21-14-25(32,13-16-5-3-2-4-6-16)24(31)29-19(21)11-12-20(29)23(30)28-15-17-7-9-18(10-8-17)22(26)27/h2-10,19-21,32H,11-15H2,1H3,(H3,26,27)(H,28,30)/t19-,20-,21-,25-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Coagulation factor VIIa


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119079
PNG
((6R,8aS)-6-Benzyl-6-hydroxy-5-oxo-octahydro-indoli...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2CC[C@H]3CC[C@@](O)(Cc4ccccc4)C(=O)N23)cc1
Show InChI InChI=1S/C24H28N4O3/c25-21(26)18-8-6-17(7-9-18)15-27-22(29)20-11-10-19-12-13-24(31,23(30)28(19)20)14-16-4-2-1-3-5-16/h1-9,19-20,31H,10-15H2,(H3,25,26)(H,27,29)/t19-,20?,24+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Coagulation factor VIIa


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119076
PNG
((1R,6S,8S,8aS)-6-Amino-1-ethyl-8-methoxy-6-(2-meth...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(CC(C)=C)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H35N5O3/c1-5-16-10-18(22(30)28-13-15-6-8-17(9-7-15)21(25)26)29-20(16)19(32-4)12-24(27,23(29)31)11-14(2)3/h6-9,16,18-20H,2,5,10-13,27H2,1,3-4H3,(H3,25,26)(H,28,30)/t16-,18?,19+,20+,24+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Coagulation factor VIIa


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119077
PNG
((1R,6S,8S,8aS)-6-Amino-6-cyclohex-1-enylmethyl-1-e...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(CC1=CCCCC1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H39N5O3/c1-3-19-13-21(25(33)31-16-18-9-11-20(12-10-18)24(28)29)32-23(19)22(35-2)15-27(30,26(32)34)14-17-7-5-4-6-8-17/h7,9-12,19,21-23H,3-6,8,13-16,30H2,1-2H3,(H3,28,29)(H,31,33)/t19-,21?,22+,23+,27+/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Coagulation factor VIIa


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50119080
PNG
((1R,6R,8S,8aS)-6-Amino-6-cyclohex-1-enylmethyl-1-e...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@](N)(CC1=CCCCC1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H39N5O3/c1-3-19-13-21(25(33)31-16-18-9-11-20(12-10-18)24(28)29)32-23(19)22(35-2)15-27(30,26(32)34)14-17-7-5-4-6-8-17/h7,9-12,19,21-23H,3-6,8,13-16,30H2,1-2H3,(H3,28,29)(H,31,33)/t19-,21?,22+,23+,27-/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Thrombin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50085450
PNG
((3S,6S,8aS)-6-Hydroxy-6-methyl-5-oxo-octahydro-ind...)
Show SMILES C[C@]1(O)CC[C@@H]2CC[C@H](N2C1=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H24N4O3/c1-18(25)9-8-13-6-7-14(22(13)17(18)24)16(23)21-10-11-2-4-12(5-3-11)15(19)20/h2-5,13-14,25H,6-10H2,1H3,(H3,19,20)(H,21,23)/t13-,14-,18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Coagulation factor VIIa


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50119078
PNG
((1R,6S,8S,8aS)-6-Amino-6-benzyl-1-ethyl-8-methoxy-...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(Cc1ccccc1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H35N5O3/c1-3-19-13-21(25(33)31-16-18-9-11-20(12-10-18)24(28)29)32-23(19)22(35-2)15-27(30,26(32)34)14-17-7-5-4-6-8-17/h4-12,19,21-23H,3,13-16,30H2,1-2H3,(H3,28,29)(H,31,33)/t19-,21?,22+,23+,27+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Plasmin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50085449
PNG
((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...)
Show SMILES CO[C@H]1C[C@@](O)(Cc2ccccc2)C(=O)N2[C@H]1CC[C@H]2C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H30N4O4/c1-33-21-14-25(32,13-16-5-3-2-4-6-16)24(31)29-19(21)11-12-20(29)23(30)28-15-17-7-9-18(10-8-17)22(26)27/h2-10,19-21,32H,11-15H2,1H3,(H3,26,27)(H,28,30)/t19-,20-,21-,25-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Coagulation factor XIa


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50119076
PNG
((1R,6S,8S,8aS)-6-Amino-1-ethyl-8-methoxy-6-(2-meth...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(CC(C)=C)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H35N5O3/c1-5-16-10-18(22(30)28-13-15-6-8-17(9-7-15)21(25)26)29-20(16)19(32-4)12-24(27,23(29)31)11-14(2)3/h6-9,16,18-20H,2,5,10-13,27H2,1,3-4H3,(H3,25,26)(H,28,30)/t16-,18?,19+,20+,24+/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Plasmin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50085449
PNG
((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...)
Show SMILES CO[C@H]1C[C@@](O)(Cc2ccccc2)C(=O)N2[C@H]1CC[C@H]2C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H30N4O4/c1-33-21-14-25(32,13-16-5-3-2-4-6-16)24(31)29-19(21)11-12-20(29)23(30)28-15-17-7-9-18(10-8-17)22(26)27/h2-10,19-21,32H,11-15H2,1H3,(H3,26,27)(H,28,30)/t19-,20-,21-,25-/m0/s1
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n/an/a 7.10E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Plasmin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50119080
PNG
((1R,6R,8S,8aS)-6-Amino-6-cyclohex-1-enylmethyl-1-e...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@](N)(CC1=CCCCC1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H39N5O3/c1-3-19-13-21(25(33)31-16-18-9-11-20(12-10-18)24(28)29)32-23(19)22(35-2)15-27(30,26(32)34)14-17-7-5-4-6-8-17/h7,9-12,19,21-23H,3-6,8,13-16,30H2,1-2H3,(H3,28,29)(H,31,33)/t19-,21?,22+,23+,27-/m1/s1
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n/an/a 1.09E+5n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Coagulation factor VIIa


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50119078
PNG
((1R,6S,8S,8aS)-6-Amino-6-benzyl-1-ethyl-8-methoxy-...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(Cc1ccccc1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H35N5O3/c1-3-19-13-21(25(33)31-16-18-9-11-20(12-10-18)24(28)29)32-23(19)22(35-2)15-27(30,26(32)34)14-17-7-5-4-6-8-17/h4-12,19,21-23H,3,13-16,30H2,1-2H3,(H3,28,29)(H,31,33)/t19-,21?,22+,23+,27+/m1/s1
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n/an/a>1.33E+5n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Coagulation factor XIa


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50119076
PNG
((1R,6S,8S,8aS)-6-Amino-1-ethyl-8-methoxy-6-(2-meth...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(CC(C)=C)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H35N5O3/c1-5-16-10-18(22(30)28-13-15-6-8-17(9-7-15)21(25)26)29-20(16)19(32-4)12-24(27,23(29)31)11-14(2)3/h6-9,16,18-20H,2,5,10-13,27H2,1,3-4H3,(H3,25,26)(H,28,30)/t16-,18?,19+,20+,24+/m1/s1
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n/an/a>1.33E+5n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Coagulation factor XIa


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50119077
PNG
((1R,6S,8S,8aS)-6-Amino-6-cyclohex-1-enylmethyl-1-e...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(CC1=CCCCC1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H39N5O3/c1-3-19-13-21(25(33)31-16-18-9-11-20(12-10-18)24(28)29)32-23(19)22(35-2)15-27(30,26(32)34)14-17-7-5-4-6-8-17/h7,9-12,19,21-23H,3-6,8,13-16,30H2,1-2H3,(H3,28,29)(H,31,33)/t19-,21?,22+,23+,27+/m1/s1
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n/an/a>1.33E+5n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Coagulation factor XIa


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50119077
PNG
((1R,6S,8S,8aS)-6-Amino-6-cyclohex-1-enylmethyl-1-e...)
Show SMILES CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(CC1=CCCCC1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H39N5O3/c1-3-19-13-21(25(33)31-16-18-9-11-20(12-10-18)24(28)29)32-23(19)22(35-2)15-27(30,26(32)34)14-17-7-5-4-6-8-17/h7,9-12,19,21-23H,3-6,8,13-16,30H2,1-2H3,(H3,28,29)(H,31,33)/t19-,21?,22+,23+,27+/m1/s1
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n/an/a 1.41E+5n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Plasmin


Bioorg Med Chem Lett 12: 2907-11 (2002)


Article DOI: 10.1016/s0960-894x(02)00612-1
BindingDB Entry DOI: 10.7270/Q2ZS2X22
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%