Found 22 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50288632
(Boropeptide | CHEMBL607008)Show SMILES Cl.[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#5](-[#8])-[#8] |r| Show InChI InChI=1S/C21H33BN6O5.ClH/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24;/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25);1H/t16-,17+,18+;/m1./s1 | PDB
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| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288621
((S)-1-[3-(2-Trifluoromethyl-benzyl)-benzoyl]-pyrro...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2ccccc2C(F)(F)F)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C35H45BF3N3O4.ClH/c1-33(2)25-20-28(33)34(3)29(21-25)45-36(46-34)30(15-6-7-16-40)41-31(43)27-14-9-17-42(27)32(44)24-12-8-10-22(19-24)18-23-11-4-5-13-26(23)35(37,38)39;/h4-5,8,10-13,19,25,27-30H,6-7,9,14-18,20-21,40H2,1-3H3,(H,41,43);1H/t25-,27-,28-,29+,30-,34-;/m0./s1 | PDB
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| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288628
((S)-1-(3-Benzo[1,3]dioxol-5-ylmethyl-benzoyl)-pyrr...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2ccc3OCOc3c2)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C35H46BN3O6.ClH/c1-34(2)25-19-29(34)35(3)30(20-25)44-36(45-35)31(11-4-5-14-37)38-32(40)26-10-7-15-39(26)33(41)24-9-6-8-22(17-24)16-23-12-13-27-28(18-23)43-21-42-27;/h6,8-9,12-13,17-18,25-26,29-31H,4-5,7,10-11,14-16,19-21,37H2,1-3H3,(H,38,40);1H/t25-,26-,29-,30+,31-,35-;/m0./s1 | PDB
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50000020
(CHEMBL2448361)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Sc2ccccc2)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C33H44BN3O4S.ClH/c1-32(2)23-20-27(32)33(3)28(21-23)40-34(41-33)29(16-7-8-17-35)36-30(38)26-15-10-18-37(26)31(39)22-11-9-14-25(19-22)42-24-12-5-4-6-13-24;/h4-6,9,11-14,19,23,26-29H,7-8,10,15-18,20-21,35H2,1-3H3,(H,36,38);1H/t23-,26-,27-,28+,29-,33-;/m0./s1 | PDB
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| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288631
((S)-1-[3-(3-Trifluoromethyl-benzyl)-benzoyl]-pyrro...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2cccc(c2)C(F)(F)F)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C35H45BF3N3O4.ClH/c1-33(2)26-20-28(33)34(3)29(21-26)45-36(46-34)30(14-4-5-15-40)41-31(43)27-13-8-16-42(27)32(44)24-11-6-9-22(18-24)17-23-10-7-12-25(19-23)35(37,38)39;/h6-7,9-12,18-19,26-30H,4-5,8,13-17,20-21,40H2,1-3H3,(H,41,43);1H/t26-,27-,28-,29+,30-,34-;/m0./s1 | PDB
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| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288634
((S)-1-(3-Benzyl-benzoyl)-pyrrolidine-2-carboxylic ...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2ccccc2)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C34H46BN3O4.ClH/c1-33(2)26-21-28(33)34(3)29(22-26)41-35(42-34)30(16-7-8-17-36)37-31(39)27-15-10-18-38(27)32(40)25-14-9-13-24(20-25)19-23-11-5-4-6-12-23;/h4-6,9,11-14,20,26-30H,7-8,10,15-19,21-22,36H2,1-3H3,(H,37,39);1H/t26-,27-,28-,29+,30-,34-;/m0./s1 | PDB
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288623
((S)-1-[3-(2-Methoxy-phenylsulfanyl)-benzoyl]-pyrro...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Sc2ccccc2OC)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C34H46BN3O5S.ClH/c1-33(2)23-20-28(33)34(3)29(21-23)42-35(43-34)30(16-7-8-17-36)37-31(39)25-13-10-18-38(25)32(40)22-11-9-12-24(19-22)44-27-15-6-5-14-26(27)41-4;/h5-6,9,11-12,14-15,19,23,25,28-30H,7-8,10,13,16-18,20-21,36H2,1-4H3,(H,37,39);1H/t23-,25-,28-,29+,30-,34-;/m0./s1 | PDB
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288627
((S)-1-[3-(4-Trifluoromethyl-benzyl)-benzoyl]-pyrro...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2ccc(cc2)C(F)(F)F)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C35H45BF3N3O4.ClH/c1-33(2)26-20-28(33)34(3)29(21-26)45-36(46-34)30(11-4-5-16-40)41-31(43)27-10-7-17-42(27)32(44)24-9-6-8-23(19-24)18-22-12-14-25(15-13-22)35(37,38)39;/h6,8-9,12-15,19,26-30H,4-5,7,10-11,16-18,20-21,40H2,1-3H3,(H,41,43);1H/t26-,27-,28-,29+,30-,34-;/m0./s1 | PDB
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| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288629
((S)-1-[3-(2-Bromo-benzyl)-benzoyl]-pyrrolidine-2-c...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2ccccc2Br)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C34H45BBrN3O4.ClH/c1-33(2)25-20-28(33)34(3)29(21-25)42-35(43-34)30(15-6-7-16-37)38-31(40)27-14-9-17-39(27)32(41)24-12-8-10-22(19-24)18-23-11-4-5-13-26(23)36;/h4-5,8,10-13,19,25,27-30H,6-7,9,14-18,20-21,37H2,1-3H3,(H,38,40);1H/t25-,27-,28-,29+,30-,34-;/m0./s1 | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288620
(Boropeptide | CHEMBL3038261)Show SMILES Cl.CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O Show InChI InChI=1S/C21H33BN4O5.ClH/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23;/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28);1H/t17-,18+,19+;/m1./s1 | PDB
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288637
((S)-1-[3-(2-Methyl-benzyl)-benzoyl]-pyrrolidine-2-...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2ccccc2C)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C35H48BN3O4.ClH/c1-23-11-5-6-13-25(23)19-24-12-9-14-26(20-24)33(41)39-18-10-15-28(39)32(40)38-31(16-7-8-17-37)36-42-30-22-27-21-29(34(27,2)3)35(30,4)43-36;/h5-6,9,11-14,20,27-31H,7-8,10,15-19,21-22,37H2,1-4H3,(H,38,40);1H/t27-,28-,29-,30+,31-,35-;/m0./s1 | PDB
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288630
((S)-1-(2-Phenoxy-benzoyl)-pyrrolidine-2-carboxylic...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1Oc1ccccc1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C33H44BN3O5.ClH/c1-32(2)22-20-27(32)33(3)28(21-22)41-34(42-33)29(17-9-10-18-35)36-30(38)25-15-11-19-37(25)31(39)24-14-7-8-16-26(24)40-23-12-5-4-6-13-23;/h4-8,12-14,16,22,25,27-29H,9-11,15,17-21,35H2,1-3H3,(H,36,38);1H/t22-,25-,27-,28+,29-,33-;/m0./s1 | PDB
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| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288636
((S)-1-(2-Benzyl-benzoyl)-pyrrolidine-2-carboxylic ...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1Cc1ccccc1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C34H46BN3O4.ClH/c1-33(2)25-21-28(33)34(3)29(22-25)41-35(42-34)30(17-9-10-18-36)37-31(39)27-16-11-19-38(27)32(40)26-15-8-7-14-24(26)20-23-12-5-4-6-13-23;/h4-8,12-15,25,27-30H,9-11,16-22,36H2,1-3H3,(H,37,39);1H/t25-,27-,28-,29+,30-,34-;/m0./s1 | PDB
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288626
((S)-1-(3-Phenoxy-benzoyl)-pyrrolidine-2-carboxylic...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Oc2ccccc2)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C33H44BN3O5.ClH/c1-32(2)23-20-27(32)33(3)28(21-23)41-34(42-33)29(16-7-8-17-35)36-30(38)26-15-10-18-37(26)31(39)22-11-9-14-25(19-22)40-24-12-5-4-6-13-24;/h4-6,9,11-14,19,23,26-29H,7-8,10,15-18,20-21,35H2,1-3H3,(H,36,38);1H/t23-,26-,27-,28+,29-,33-;/m0./s1 | PDB
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| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288633
((S)-1-[3-(4-Methoxy-phenylsulfanyl)-benzoyl]-pyrro...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Sc2ccc(OC)cc2)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C34H46BN3O5S.ClH/c1-33(2)23-20-28(33)34(3)29(21-23)42-35(43-34)30(12-5-6-17-36)37-31(39)27-11-8-18-38(27)32(40)22-9-7-10-26(19-22)44-25-15-13-24(41-4)14-16-25;/h7,9-10,13-16,19,23,27-30H,5-6,8,11-12,17-18,20-21,36H2,1-4H3,(H,37,39);1H/t23-,27-,28-,29+,30-,34-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288625
((S)-1-[3-(3-Fluoro-benzyl)-benzoyl]-pyrrolidine-2-...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2cccc(F)c2)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C34H45BFN3O4.ClH/c1-33(2)25-20-28(33)34(3)29(21-25)42-35(43-34)30(14-4-5-15-37)38-31(40)27-13-8-16-39(27)32(41)24-11-6-9-22(18-24)17-23-10-7-12-26(36)19-23;/h6-7,9-12,18-19,25,27-30H,4-5,8,13-17,20-21,37H2,1-3H3,(H,38,40);1H/t25-,27-,28-,29+,30-,34-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
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| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288624
((S)-1-[3-(2-Trifluoromethyl-phenylsulfanyl)-benzoy...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Sc2ccccc2C(F)(F)F)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C34H43BF3N3O4S.ClH/c1-32(2)22-19-27(32)33(3)28(20-22)44-35(45-33)29(15-6-7-16-39)40-30(42)25-13-9-17-41(25)31(43)21-10-8-11-23(18-21)46-26-14-5-4-12-24(26)34(36,37)38;/h4-5,8,10-12,14,18,22,25,27-29H,6-7,9,13,15-17,19-20,39H2,1-3H3,(H,40,42);1H/t22-,25-,27-,28+,29-,33-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288639
((S)-1-[3-(2-Methylsulfanyl-benzyl)-benzoyl]-pyrrol...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2ccccc2SC)c1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C35H48BN3O4S.ClH/c1-34(2)26-21-29(34)35(3)30(22-26)42-36(43-35)31(16-7-8-17-37)38-32(40)27-14-10-18-39(27)33(41)25-13-9-11-23(20-25)19-24-12-5-6-15-28(24)44-4;/h5-6,9,11-13,15,20,26-27,29-31H,7-8,10,14,16-19,21-22,37H2,1-4H3,(H,38,40);1H/t26-,27-,29-,30+,31-,35-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288622
((S)-1-[3-(2-Methoxy-benzenesulfonyl)-benzoyl]-pyrr...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)S(=O)(=O)c1ccccc1OC |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C34H46BN3O7S.ClH/c1-33(2)23-20-28(33)34(3)29(21-23)44-35(45-34)30(16-7-8-17-36)37-31(39)25-13-10-18-38(25)32(40)22-11-9-12-24(19-22)46(41,42)27-15-6-5-14-26(27)43-4;/h5-6,9,11-12,14-15,19,23,25,28-30H,7-8,10,13,16-18,20-21,36H2,1-4H3,(H,37,39);1H/t23-,25-,28-,29+,30-,34-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288408
(1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxylic ac...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-10-17(20(26)27)22-19(25)16-9-6-14-23(16)18(24)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-17,26-27H,4-6,9-14,21H2,(H,22,25)/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288638
((S)-1-(3-Benzenesulfonyl-benzoyl)-pyrrolidine-2-ca...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)S(=O)(=O)c1ccccc1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C33H44BN3O6S.ClH/c1-32(2)23-20-27(32)33(3)28(21-23)42-34(43-33)29(16-7-8-17-35)36-30(38)26-15-10-18-37(26)31(39)22-11-9-14-25(19-22)44(40,41)24-12-5-4-6-13-24;/h4-6,9,11-14,19,23,26-29H,7-8,10,15-18,20-21,35H2,1-3H3,(H,36,38);1H/t23-,26-,27-,28+,29-,33-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288635
((S)-1-(4-Benzyl-benzoyl)-pyrrolidine-2-carboxylic ...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cc2ccccc2)cc1 |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C34H46BN3O4.ClH/c1-33(2)26-21-28(33)34(3)29(22-26)41-35(42-34)30(13-7-8-18-36)37-31(39)27-12-9-19-38(27)32(40)25-16-14-24(15-17-25)20-23-10-5-4-6-11-23;/h4-6,10-11,14-17,26-30H,7-9,12-13,18-22,36H2,1-3H3,(H,37,39);1H/t26-,27-,28-,29+,30-,34-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
Similars
| Article
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human thrombin. |
Bioorg Med Chem Lett 6: 301-306 (1996)
Article DOI: 10.1016/0960-894X(96)00016-9
BindingDB Entry DOI: 10.7270/Q2959HJX |
More data for this
Ligand-Target Pair | |
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