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Compile Data Set for Download or QSAR

Found 264 hits Enz. Inhib. hit(s) with all data for entry = 50003537   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prothrombin


(Bos taurus (Bovine))
BDBM50060052
PNG
(3-[(S)-3-(4-Methanesulfonyl-piperazin-1-yl)-2-(nap...)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N5O5S2/c1-36(32,33)30-13-11-29(12-14-30)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)/t23-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472462
PNG
(CHEMBL145664)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H34N6O5S2/c1-31(2)24-11-5-10-22-21(24)9-6-12-25(22)40(37,38)30-23(18-19-7-4-8-20(17-19)26(28)29)27(34)32-13-15-33(16-14-32)39(3,35)36/h4-12,17,23,30H,13-16,18H2,1-3H3,(H3,28,29)/t23-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472496
PNG
(CHEMBL358110)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H35N5O5S2/c1-25(2,3)20-8-10-21(11-9-20)37(34,35)28-22(17-18-6-5-7-19(16-18)23(26)27)24(31)29-12-14-30(15-13-29)36(4,32)33/h5-11,16,22,28H,12-15,17H2,1-4H3,(H3,26,27)/t22-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472467
PNG
(CHEMBL344552)
Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H36N4O3S/c1-18-12-14-30(15-13-18)25(31)23(17-19-6-5-7-20(16-19)24(27)28)29-34(32,33)22-10-8-21(9-11-22)26(2,3)4/h5-11,16,18,23,29H,12-15,17H2,1-4H3,(H3,27,28)/t23-/m0/s1
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5n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472473
PNG
(CHEMBL358970)
Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-18-11-13-30(14-12-18)26(31)24(16-19-5-4-8-22(15-19)25(27)28)29-34(32,33)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17-18,24,29H,11-14,16H2,1H3,(H3,27,28)/t24-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472505
PNG
(CHEMBL141782)
Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50060045
PNG
(4-[(S)-3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2...)
Show SMILES CN(C)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H32N6O4S/c1-31(2)27(35)33-14-12-32(13-15-33)26(34)24(17-19-6-5-9-22(16-19)25(28)29)30-38(36,37)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,30H,12-15,17H2,1-2H3,(H3,28,29)/t24-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472517
PNG
(CHEMBL342722)
Show SMILES CCCCOC(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H27N3O4S/c1-2-3-13-31-24(28)22(15-17-7-6-10-20(14-17)23(25)26)27-32(29,30)21-12-11-18-8-4-5-9-19(18)16-21/h4-12,14,16,22,27H,2-3,13,15H2,1H3,(H3,25,26)/t22-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472477
PNG
(CHEMBL357210)
Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C
Show InChI InChI=1S/C26H38N4O4S/c1-17-8-11-30(12-9-17)24(32)21(14-18-5-4-6-19(13-18)23(27)28)29-35(33,34)16-26-10-7-20(15-22(26)31)25(26,2)3/h4-6,13,17,20-21,29H,7-12,14-16H2,1-3H3,(H3,27,28)/t20-,21+,26-/m1/s1
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14n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472502
PNG
(CHEMBL358081)
Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H30N4O3S/c1-18-12-14-30(15-13-18)26(31)23(17-19-6-4-9-21(16-19)25(27)28)29-34(32,33)24-11-5-8-20-7-2-3-10-22(20)24/h2-11,16,18,23,29H,12-15,17H2,1H3,(H3,27,28)/t23-/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472452
PNG
(CHEMBL343892)
Show SMILES COC(=O)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)/t24-/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472512
PNG
(CHEMBL1161247)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2Cc3ccccc3C[C@@H]2C(O)=O)c1
Show InChI InChI=1S/C30H28N4O5S/c31-28(32)23-11-5-6-19(14-23)15-26(33-40(38,39)25-13-12-20-7-1-2-8-21(20)16-25)29(35)34-18-24-10-4-3-9-22(24)17-27(34)30(36)37/h1-14,16,26-27,33H,15,17-18H2,(H3,31,32)(H,36,37)/t26-,27+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50272181
PNG
(CHEMBL143594)
Show SMILES COC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N5O5S/c1-36-26(33)31-13-11-30(12-14-31)25(32)23(16-18-5-4-8-21(15-18)24(27)28)29-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,29H,11-14,16H2,1H3,(H3,27,28)/t23-/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472474
PNG
(CHEMBL145630)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1
Show InChI InChI=1S/C26H30N4O3S/c27-25(28)22-11-7-8-19(16-22)17-24(26(31)30-14-5-1-2-6-15-30)29-34(32,33)23-13-12-20-9-3-4-10-21(20)18-23/h3-4,7-13,16,18,24,29H,1-2,5-6,14-15,17H2,(H3,27,28)/t24-/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50060038
PNG
(3-[(S)-3-(4-Acetyl-piperazin-1-yl)-2-(naphthalene-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N5O4S/c1-18(32)30-11-13-31(14-12-30)26(33)24(16-19-5-4-8-22(15-19)25(27)28)29-36(34,35)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17,24,29H,11-14,16H2,1H3,(H3,27,28)/t24-/m0/s1
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23n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472450
PNG
(CHEMBL356348)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N5O5S2/c1-36(32,33)30-14-12-29(13-15-30)25(31)22(17-18-6-4-9-20(16-18)24(26)27)28-37(34,35)23-11-5-8-19-7-2-3-10-21(19)23/h2-11,16,22,28H,12-15,17H2,1H3,(H3,26,27)/t22-/m0/s1
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26n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472480
PNG
(CHEMBL142417)
Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H30N4O3S/c1-16-6-8-20(9-7-16)31(29,30)26-21(23(28)27-12-10-17(2)11-13-27)15-18-4-3-5-19(14-18)22(24)25/h3-9,14,17,21,26H,10-13,15H2,1-2H3,(H3,24,25)/t21-/m0/s1
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26n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472513
PNG
(CHEMBL435621)
Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C30H30N4O5S/c1-18-11-13-34(14-12-18)30(37)26(16-19-5-4-6-20(15-19)29(31)32)33-40(38,39)21-9-10-24-25(17-21)28(36)23-8-3-2-7-22(23)27(24)35/h2-10,15,17-18,26,33H,11-14,16H2,1H3,(H3,31,32)/t26-/m0/s1
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26n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472491
PNG
(CHEMBL145206)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)c1
Show InChI InChI=1S/C27H32N4O3S/c28-26(29)23-12-8-9-20(17-23)18-25(27(32)31-15-6-2-1-3-7-16-31)30-35(33,34)24-14-13-21-10-4-5-11-22(21)19-24/h4-5,8-14,17,19,25,30H,1-3,6-7,15-16,18H2,(H3,28,29)/t25-/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472457
PNG
(CHEMBL423195)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H35N5O6S2/c1-16-13-22(36-4)17(2)18(3)23(16)38(34,35)28-21(15-19-7-6-8-20(14-19)24(26)27)25(31)29-9-11-30(12-10-29)37(5,32)33/h6-8,13-14,21,28H,9-12,15H2,1-5H3,(H3,26,27)/t21-/m0/s1
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32n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472470
PNG
(CHEMBL142241)
Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)c(C)c2OC(C)(C)CCc2c1C
Show InChI InChI=1S/C30H42N4O4S/c1-18-11-14-34(15-12-18)29(35)25(17-22-8-7-9-23(16-22)28(31)32)33-39(36,37)27-20(3)19(2)26-24(21(27)4)10-13-30(5,6)38-26/h7-9,16,18,25,33H,10-15,17H2,1-6H3,(H3,31,32)/t25-/m0/s1
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34n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50060050
PNG
(3-[(S)-3-(4-Methyl-piperazin-1-yl)-2-(naphthalene-...)
Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N5O3S/c1-29-11-13-30(14-12-29)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-34(32,33)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)/t23-/m0/s1
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36n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472472
PNG
(CHEMBL358366)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCc3ccccc3C2)c1
Show InChI InChI=1S/C29H28N4O3S/c30-28(31)24-11-5-6-20(16-24)17-27(29(34)33-15-14-22-8-2-4-10-25(22)19-33)32-37(35,36)26-13-12-21-7-1-3-9-23(21)18-26/h1-13,16,18,27,32H,14-15,17,19H2,(H3,30,31)/t27-/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472483
PNG
(CHEMBL145108)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)C=O)c1
Show InChI InChI=1S/C26H28N4O4S/c27-25(28)22-7-3-4-19(14-22)15-24(26(32)30-12-10-18(17-31)11-13-30)29-35(33,34)23-9-8-20-5-1-2-6-21(20)16-23/h1-9,14,16-18,24,29H,10-13,15H2,(H3,27,28)/t24-/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472482
PNG
(CHEMBL142447)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)c1
Show InChI InChI=1S/C24H26N4O4S/c25-23(26)20-7-3-4-17(14-20)15-22(24(29)28-10-12-32-13-11-28)27-33(30,31)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27H,10-13,15H2,(H3,25,26)/t22-/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472458
PNG
(CHEMBL145148)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C27H25N3O4S/c28-26(29)23-12-6-9-20(15-23)16-25(27(31)34-18-19-7-2-1-3-8-19)30-35(32,33)24-14-13-21-10-4-5-11-22(21)17-24/h1-15,17,25,30H,16,18H2,(H3,28,29)/t25-/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472497
PNG
(CHEMBL145211)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C24H26N4O3S/c25-23(26)20-9-5-6-17(14-20)15-22(24(29)28-12-3-4-13-28)27-32(30,31)21-11-10-18-7-1-2-8-19(18)16-21/h1-2,5-11,14,16,22,27H,3-4,12-13,15H2,(H3,25,26)/t22-/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472518
PNG
(CHEMBL344283)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)CO)c1
Show InChI InChI=1S/C26H29N5O5S/c27-25(28)21-7-3-4-18(14-21)15-23(26(34)31-12-10-30(11-13-31)24(33)17-32)29-37(35,36)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16,23,29,32H,10-13,15,17H2,(H3,27,28)/t23-/m0/s1
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58n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472465
PNG
(CHEMBL358526)
Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C25H34N4O3S/c1-16-8-10-29(11-9-16)25(30)22(15-20-6-5-7-21(14-20)24(26)27)28-33(31,32)23-18(3)12-17(2)13-19(23)4/h5-7,12-14,16,22,28H,8-11,15H2,1-4H3,(H3,26,27)/t22-/m0/s1
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59n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472454
PNG
(CHEMBL145504)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3S/c26-24(27)21-10-6-7-18(15-21)16-23(25(30)29-13-4-1-5-14-29)28-33(31,32)22-12-11-19-8-2-3-9-20(19)17-22/h2-3,6-12,15,17,23,28H,1,4-5,13-14,16H2,(H3,26,27)/t23-/m0/s1
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65n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472503
PNG
(CHEMBL423555)
Show SMILES COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)24-11-4-5-14-31(24)26(32)23(16-18-7-6-10-21(15-18)25(28)29)30-37(34,35)22-13-12-19-8-2-3-9-20(19)17-22/h2-3,6-10,12-13,15,17,23-24,30H,4-5,11,14,16H2,1H3,(H3,28,29)/t23-,24+/m0/s1
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69n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472488
PNG
(CHEMBL145741)
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(C)CC1
Show InChI InChI=1S/C31H46N4O3S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)39(37,38)34-28(31(36)35-13-11-22(7)12-14-35)16-23-9-8-10-24(15-23)30(32)33/h8-10,15,17-22,28,34H,11-14,16H2,1-7H3,(H3,32,33)/t28-/m0/s1
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74n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472499
PNG
(CHEMBL143067)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C26H36N4O4S/c1-16-9-11-30(12-10-16)26(31)22(15-20-7-6-8-21(14-20)25(27)28)29-35(32,33)24-17(2)13-23(34-5)18(3)19(24)4/h6-8,13-14,16,22,29H,9-12,15H2,1-5H3,(H3,27,28)/t22-/m0/s1
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89n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472464
PNG
(CHEMBL357660)
Show SMILES COC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H32N4O5S/c1-18-12-13-32(25(14-18)28(34)37-2)27(33)24(16-19-6-5-9-22(15-19)26(29)30)31-38(35,36)23-11-10-20-7-3-4-8-21(20)17-23/h3-11,15,17-18,24-25,31H,12-14,16H2,1-2H3,(H3,29,30)/t18-,24+,25-/m1/s1
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96n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472445
PNG
(CHEMBL344790)
Show SMILES CC(C)OC(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H25N3O4S/c1-15(2)30-23(27)21(13-16-6-5-9-19(12-16)22(24)25)26-31(28,29)20-11-10-17-7-3-4-8-18(17)14-20/h3-12,14-15,21,26H,13H2,1-2H3,(H3,24,25)/t21-/m0/s1
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110n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472451
PNG
(CHEMBL356711)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCc3ccccc23)c1
Show InChI InChI=1S/C29H28N4O3S/c30-28(31)24-11-5-7-20(17-24)18-26(29(34)33-16-6-12-22-9-3-4-13-27(22)33)32-37(35,36)25-15-14-21-8-1-2-10-23(21)19-25/h1-5,7-11,13-15,17,19,26,32H,6,12,16,18H2,(H3,30,31)/t26-/m0/s1
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120n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472515
PNG
(CHEMBL444601)
Show SMILES CCCCNC(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-2-3-13-27-24(29)22(15-17-7-6-10-20(14-17)23(25)26)28-32(30,31)21-12-11-18-8-4-5-9-19(18)16-21/h4-12,14,16,22,28H,2-3,13,15H2,1H3,(H3,25,26)(H,27,29)/t22-/m0/s1
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120n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472506
PNG
(CHEMBL1161248)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2Cc3ccccc3C=C2C(O)=O)c1
Show InChI InChI=1S/C30H26N4O5S/c31-28(32)23-11-5-6-19(14-23)15-26(33-40(38,39)25-13-12-20-7-1-2-8-21(20)16-25)29(35)34-18-24-10-4-3-9-22(24)17-27(34)30(36)37/h1-14,16-17,26,33H,15,18H2,(H3,31,32)(H,36,37)/t26-/m0/s1
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120n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472471
PNG
(CHEMBL145517)
Show SMILES COC(=O)[C@H]1CCCN(C1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)22-10-5-13-31(17-22)26(32)24(15-18-6-4-9-21(14-18)25(28)29)30-37(34,35)23-12-11-19-7-2-3-8-20(19)16-23/h2-4,6-9,11-12,14,16,22,24,30H,5,10,13,15,17H2,1H3,(H3,28,29)/t22-,24-/m0/s1
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151n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472521
PNG
(CHEMBL342542)
Show SMILES COC(=O)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)42(39,40)35-28(16-22-9-8-10-24(15-22)30(33)34)31(37)36-13-11-23(12-14-36)32(38)41-7/h8-10,15,17-21,23,28,35H,11-14,16H2,1-7H3,(H3,33,34)/t28-/m0/s1
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151n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472469
PNG
(CHEMBL143205)
Show SMILES CNC(=O)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N5O4S/c1-30-26(33)20-11-13-32(14-12-20)27(34)24(16-18-5-4-8-22(15-18)25(28)29)31-37(35,36)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,31H,11-14,16H2,1H3,(H3,28,29)(H,30,33)/t24-/m0/s1
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160n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472475
PNG
(CHEMBL356295)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H26N4O4S/c1-15-5-7-18(8-6-15)30(27,28)24-19(21(26)25-9-11-29-12-10-25)14-16-3-2-4-17(13-16)20(22)23/h2-8,13,19,24H,9-12,14H2,1H3,(H3,22,23)/t19-/m0/s1
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170n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472489
PNG
(CHEMBL145655)
Show SMILES COC(=O)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H34N4O5S/c1-16-12-17(2)23(18(3)13-16)36(33,34)29-22(15-19-6-5-7-21(14-19)24(27)28)25(31)30-10-8-20(9-11-30)26(32)35-4/h5-7,12-14,20,22,29H,8-11,15H2,1-4H3,(H3,27,28)/t22-/m0/s1
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180n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472442
PNG
(CHEMBL145795)
Show SMILES COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C31H30N4O5S/c1-40-31(37)28-18-23-10-4-5-11-25(23)19-35(28)30(36)27(16-20-7-6-12-24(15-20)29(32)33)34-41(38,39)26-14-13-21-8-2-3-9-22(21)17-26/h2-15,17,27-28,34H,16,18-19H2,1H3,(H3,32,33)/t27-,28+/m0/s1
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200n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472447
PNG
(CHEMBL358077)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C33H34N4O5S/c34-31(35)28-12-6-9-24(19-28)20-30(36-43(40,41)29-14-13-25-10-4-5-11-27(25)21-29)32(38)37-17-15-26(16-18-37)33(39)42-22-23-7-2-1-3-8-23/h1-14,19,21,26,30,36H,15-18,20,22H2,(H3,34,35)/t30-/m0/s1
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210n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472516
PNG
(CHEMBL343254)
Show SMILES CNC(=O)[C@H]1CCCN(C1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O4S/c1-19(2)25-16-26(20(3)4)29(27(17-25)21(5)6)42(40,41)36-28(15-22-10-8-11-23(14-22)30(33)34)32(39)37-13-9-12-24(18-37)31(38)35-7/h8,10-11,14,16-17,19-21,24,28,36H,9,12-13,15,18H2,1-7H3,(H3,33,34)(H,35,38)/t24-,28-/m0/s1
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230n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472448
PNG
(CHEMBL344104)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2cccc3ccccc23)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3S/c26-24(27)20-11-6-8-18(16-20)17-22(25(30)29-14-4-1-5-15-29)28-33(31,32)23-13-7-10-19-9-2-3-12-21(19)23/h2-3,6-13,16,22,28H,1,4-5,14-15,17H2,(H3,26,27)/t22-/m0/s1
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230n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472494
PNG
(CHEMBL1161253)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC[C@@H]2C(O)=O)c1
Show InChI InChI=1S/C26H28N4O5S/c27-24(28)20-9-5-6-17(14-20)15-22(25(31)30-13-4-3-10-23(30)26(32)33)29-36(34,35)21-12-11-18-7-1-2-8-19(18)16-21/h1-2,5-9,11-12,14,16,22-23,29H,3-4,10,13,15H2,(H3,27,28)(H,32,33)/t22-,23+/m0/s1
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260n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472520
PNG
(CHEMBL142312)
Show SMILES CNC(=O)[C@H]1CCCN(C1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N5O4S/c1-30-26(33)22-10-5-13-32(17-22)27(34)24(15-18-6-4-9-21(14-18)25(28)29)31-37(35,36)23-12-11-19-7-2-3-8-20(19)16-23/h2-4,6-9,11-12,14,16,22,24,31H,5,10,13,15,17H2,1H3,(H3,28,29)(H,30,33)/t22-,24-/m0/s1
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260n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50472443
PNG
(CHEMBL357211)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@@H](C2)C(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C33H35N5O4S/c34-31(35)27-13-6-10-24(18-27)19-30(37-43(41,42)29-16-15-25-11-4-5-12-26(25)20-29)33(40)38-17-7-14-28(22-38)32(39)36-21-23-8-2-1-3-9-23/h1-6,8-13,15-16,18,20,28,30,37H,7,14,17,19,21-22H2,(H3,34,35)(H,36,39)/t28-,30-/m0/s1
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280n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
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