Found 733 hits with Last Name = 'stürzebecher' and Initial = 'j' 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 |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211565
((R)-N-[(S)-1-(2-aminomethyl-5-chloro-benzylcarbamo...)Show SMILES C[C@H](NC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C27H32ClN5O5S/c1-19(26(34)30-17-22-15-23(28)11-10-21(22)16-29)31-27(35)25(13-12-24-9-5-6-14-33(24)36)32-39(37,38)18-20-7-3-2-4-8-20/h2-11,14-15,19,25,32H,12-13,16-18,29H2,1H3,(H,30,34)(H,31,35)/t19-,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211578
((S)-1-[(R)-4-(1-oxy-pyridin-2-yl)-2-phenylmethanes...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H34ClN5O5S/c30-24-12-11-22(18-31)23(17-24)19-32-28(36)27-10-6-15-34(27)29(37)26(14-13-25-9-4-5-16-35(25)38)33-41(39,40)20-21-7-2-1-3-8-21/h1-5,7-9,11-12,16-17,26-27,33H,6,10,13-15,18-20,31H2,(H,32,36)/t26-,27+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211567
((R)-N-[(S)-1-(2-aminomethyl-5-chloro-benzylcarbamo...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@H](CO)NC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C27H32ClN5O6S/c28-22-10-9-20(15-29)21(14-22)16-30-26(35)25(17-34)31-27(36)24(12-11-23-8-4-5-13-33(23)37)32-40(38,39)18-19-6-2-1-3-7-19/h1-10,13-14,24-25,32,34H,11-12,15-18,29H2,(H,30,35)(H,31,36)/t24-,25+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211585
(CHEMBL389960 | [(R)-1-[(S)-2-(2-aminomethyl-5-chlo...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)CC(O)=O Show InChI InChI=1S/C24H30ClN5O7S/c25-18-7-6-16(13-26)17(12-18)14-27-23(33)21-5-3-10-29(21)24(34)20(28-38(36,37)15-22(31)32)9-8-19-4-1-2-11-30(19)35/h1-2,4,6-7,11-12,20-21,28H,3,5,8-10,13-15,26H2,(H,27,33)(H,31,32)/t20-,21+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211571
((R)-N-((S)-1-(2-(aminomethyl)-5-chlorobenzylamino)...)Show SMILES C[C@H](NC(=O)[C@@H](CCc1ccccn1)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C27H32ClN5O4S/c1-19(26(34)31-17-22-15-23(28)11-10-21(22)16-29)32-27(35)25(13-12-24-9-5-6-14-30-24)33-38(36,37)18-20-7-3-2-4-8-20/h2-11,14-15,19,25,33H,12-13,16-18,29H2,1H3,(H,31,34)(H,32,35)/t19-,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211564
((R)-N-[(5-chloro-2-ethyl-benzylcarbamoyl)-methyl]-...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)CNC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C26H30ClN5O5S/c27-22-10-9-20(15-28)21(14-22)16-29-25(33)17-30-26(34)24(12-11-23-8-4-5-13-32(23)35)31-38(36,37)18-19-6-2-1-3-7-19/h1-10,13-14,24,31H,11-12,15-18,28H2,(H,29,33)(H,30,34)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211563
((S)-4-(2-aminomethyl-5-chloro-benzylcarbamoyl)-4-{...)Show SMILES CON([C@@H](CCC(O)=O)C(=O)NCc1cc(Cl)ccc1CN)C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C30H36ClN5O8S/c1-44-36(27(14-15-28(37)38)29(39)33-19-23-17-24(31)11-10-22(23)18-32)30(40)26(13-12-25-9-5-6-16-35(25)41)34-45(42,43)20-21-7-3-2-4-8-21/h2-11,16-17,26-27,34H,12-15,18-20,32H2,1H3,(H,33,39)(H,37,38)/t26-,27+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211570
(CHEMBL228984 | N-((S)-1-(2-(aminomethyl)-5-chlorob...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@H](CO)NC(=O)C(CCc1ccccn1)NS(=O)(=O)Cc1ccccc1 |w:19.20| Show InChI InChI=1S/C27H32ClN5O5S/c28-22-10-9-20(15-29)21(14-22)16-31-26(35)25(17-34)32-27(36)24(12-11-23-8-4-5-13-30-23)33-39(37,38)18-19-6-2-1-3-7-19/h1-10,13-14,24-25,33-34H,11-12,15-18,29H2,(H,31,35)(H,32,36)/t24?,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211582
((R)-N-[(4-carbamimidoyl-benzylcarbamoyl)-methyl]-4...)Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CCc2cccc[n+]2[O-])NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C26H30N6O5S/c27-25(28)21-11-9-19(10-12-21)16-29-24(33)17-30-26(34)23(14-13-22-8-4-5-15-32(22)35)31-38(36,37)18-20-6-2-1-3-7-20/h1-12,15,23,31H,13-14,16-18H2,(H3,27,28)(H,29,33)(H,30,34)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211552
((4-{[1-{[(2-aminomethyl-5-chloro-benzylcarbamoyl)-...)Show SMILES COC(=O)Cc1ccc(CS(=O)(=O)NC(CCc2cccc[n+]2[O-])C(=O)NCC(=O)NCc2cc(Cl)ccc2CN)cc1 |w:14.14| Show InChI InChI=1S/C29H34ClN5O7S/c1-42-28(37)14-20-5-7-21(8-6-20)19-43(40,41)34-26(12-11-25-4-2-3-13-35(25)39)29(38)33-18-27(36)32-17-23-15-24(30)10-9-22(23)16-31/h2-10,13,15,26,34H,11-12,14,16-19,31H2,1H3,(H,32,36)(H,33,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211572
((4-{[1-{[(2-aminomethyl-5-chloro-benzylcarbamoyl)-...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccc(CC(O)=O)cc1 |w:17.18| Show InChI InChI=1S/C28H32ClN5O7S/c29-23-9-8-21(15-30)22(14-23)16-31-26(35)17-32-28(38)25(11-10-24-3-1-2-12-34(24)39)33-42(40,41)18-20-6-4-19(5-7-20)13-27(36)37/h1-9,12,14,25,33H,10-11,13,15-18,30H2,(H,31,35)(H,32,38)(H,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211586
((s)-4-(2-aminomethyl-5-chloro-benzylcarbamoyl)-4-[...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@H](CCC(O)=O)NC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 |w:22.33| Show InChI InChI=1S/C29H34ClN5O7S/c30-23-10-9-21(17-31)22(16-23)18-32-28(38)25(13-14-27(36)37)33-29(39)26(12-11-24-8-4-5-15-35(24)40)34-43(41,42)19-20-6-2-1-3-7-20/h1-10,15-16,25-26,34H,11-14,17-19,31H2,(H,32,38)(H,33,39)(H,36,37)/t25-,26?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50211578
((S)-1-[(R)-4-(1-oxy-pyridin-2-yl)-2-phenylmethanes...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H34ClN5O5S/c30-24-12-11-22(18-31)23(17-24)19-32-28(36)27-10-6-15-34(27)29(37)26(14-13-25-9-4-5-16-35(25)38)33-41(39,40)20-21-7-2-1-3-8-21/h1-5,7-9,11-12,16-17,26-27,33H,6,10,13-15,18-20,31H2,(H,32,36)/t26-,27+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of thrombin |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211587
(CHEMBL427464 | N-[(R)-1-[(S)-2-(2-aminomethyl-5-ch...)Show SMILES COC(=O)C(=O)N[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C25H30ClN5O6/c1-37-25(35)23(33)29-20(10-9-19-5-2-3-12-31(19)36)24(34)30-11-4-6-21(30)22(32)28-15-17-13-18(26)8-7-16(17)14-27/h2-3,5,7-8,12-13,20-21H,4,6,9-11,14-15,27H2,1H3,(H,28,32)(H,29,33)/t20-,21+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211584
(CHEMBL231393 | [1-{[(2-aminomethyl-5-chloro-benzyl...)Show SMILES CC(C)OC(=O)CS(=O)(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:11.11| Show InChI InChI=1S/C24H32ClN5O7S/c1-16(2)37-23(32)15-38(35,36)29-21(9-8-20-5-3-4-10-30(20)34)24(33)28-14-22(31)27-13-18-11-19(25)7-6-17(18)12-26/h3-7,10-11,16,21,29H,8-9,12-15,26H2,1-2H3,(H,27,31)(H,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211551
(CHEMBL228285 | N-[1-[(S)-2-(2-aminomethyl-5-chloro...)Show SMILES COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |w:7.6| Show InChI InChI=1S/C25H30ClN5O6/c1-37-25(35)23(33)29-20(10-9-19-5-2-3-12-31(19)36)24(34)30-11-4-6-21(30)22(32)28-15-17-13-18(26)8-7-16(17)14-27/h2-3,5,7-8,12-13,20-21H,4,6,9-11,14-15,27H2,1H3,(H,28,32)(H,29,33)/t20?,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211576
(CHEMBL228341 | [(R)-1-[(S)-2-(2-aminomethyl-5-chlo...)Show SMILES CCCCCCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C30H42ClN5O5/c1-2-3-4-7-17-41-28(37)21-33-26(14-13-25-9-5-6-16-36(25)40)30(39)35-15-8-10-27(35)29(38)34-20-23-18-24(31)12-11-22(23)19-32/h5-6,9,11-12,16,18,26-27,33H,2-4,7-8,10,13-15,17,19-21,32H2,1H3,(H,34,38)/t26-,27+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211556
(CHEMBL390402 | [(R)-1-[(S)-2-(2-aminomethyl-5-chlo...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NCC(O)=O Show InChI InChI=1S/C24H30ClN5O5/c25-18-7-6-16(13-26)17(12-18)14-28-23(33)21-5-3-10-29(21)24(34)20(27-15-22(31)32)9-8-19-4-1-2-11-30(19)35/h1-2,4,6-7,11-12,20-21,27H,3,5,8-10,13-15,26H2,(H,28,33)(H,31,32)/t20-,21+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211577
(CHEMBL229036 | [(R)-1-[(S)-2-(2-aminomethyl-5-chlo...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NCC(=O)OC1CCCCC1 Show InChI InChI=1S/C30H40ClN5O5/c31-23-12-11-21(18-32)22(17-23)19-34-29(38)27-10-6-15-35(27)30(39)26(14-13-24-7-4-5-16-36(24)40)33-20-28(37)41-25-8-2-1-3-9-25/h4-5,7,11-12,16-17,25-27,33H,1-3,6,8-10,13-15,18-20,32H2,(H,34,38)/t26-,27+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211581
(2-((R)-1-((S)-2-((2-(aminomethyl)-5-chlorobenzyl)c...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccccn1)NCC(O)=O Show InChI InChI=1S/C24H30ClN5O4/c25-18-7-6-16(13-26)17(12-18)14-29-23(33)21-5-3-11-30(21)24(34)20(28-15-22(31)32)9-8-19-4-1-2-10-27-19/h1-2,4,6-7,10,12,20-21,28H,3,5,8-9,11,13-15,26H2,(H,29,33)(H,31,32)/t20-,21+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211580
(CHEMBL231494 | [1-{[(2-aminomethyl-5-chloro-benzyl...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)CC(O)=O |w:17.18| Show InChI InChI=1S/C21H26ClN5O7S/c22-16-5-4-14(10-23)15(9-16)11-24-19(28)12-25-21(31)18(26-35(33,34)13-20(29)30)7-6-17-3-1-2-8-27(17)32/h1-5,8-9,18,26H,6-7,10-13,23H2,(H,24,28)(H,25,31)(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211566
(CHEMBL228340 | [(R)-1-[(S)-2-(2-aminomethyl-5-chlo...)Show SMILES CCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C26H34ClN5O5/c1-2-37-24(33)17-29-22(11-10-21-6-3-4-13-32(21)36)26(35)31-12-5-7-23(31)25(34)30-16-19-14-20(27)9-8-18(19)15-28/h3-4,6,8-9,13-14,22-23,29H,2,5,7,10-12,15-17,28H2,1H3,(H,30,34)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50060017
(3-[(R)-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-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50060036
(3-[(R)-3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-...)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-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin. |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211555
(CHEMBL397679 | N-[(2,5-dichloro-benzylcarbamoyl)-m...)Show SMILES [O-][n+]1ccccc1CCC(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1cc(Cl)ccc1Cl |w:9.10| Show InChI InChI=1S/C25H26Cl2N4O5S/c26-20-9-11-22(27)19(14-20)15-28-24(32)16-29-25(33)23(12-10-21-8-4-5-13-31(21)34)30-37(35,36)17-18-6-2-1-3-7-18/h1-9,11,13-14,23,30H,10,12,15-17H2,(H,28,32)(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211573
(CHEMBL390403 | ethyl 2-((R)-1-((S)-2-((2-(aminomet...)Show SMILES CCOC(=O)CN[C@H](CCc1ccccn1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C26H34ClN5O4/c1-2-36-24(33)17-30-22(11-10-21-6-3-4-12-29-21)26(35)32-13-5-7-23(32)25(34)31-16-19-14-20(27)9-8-18(19)15-28/h3-4,6,8-9,12,14,22-23,30H,2,5,7,10-11,13,15-17,28H2,1H3,(H,31,34)/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50211562
(2-((R)-1-((S)-2-((2-(aminomethyl)-5-chlorobenzyl)c...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccc(O)cc1)NCC(O)=O Show InChI InChI=1S/C25H31ClN4O5/c26-19-7-6-17(13-27)18(12-19)14-29-24(34)22-2-1-11-30(22)25(35)21(28-15-23(32)33)10-5-16-3-8-20(31)9-4-16/h3-4,6-9,12,21-22,28,31H,1-2,5,10-11,13-15,27H2,(H,29,34)(H,32,33)/t21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of thrombin |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50110023
(2-(3-Hydroxy-2-phenylmethanesulfonylamino-propiony...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C23H29N5O5S/c24-21(25)18-10-8-16(9-11-18)13-26-22(30)20-7-4-12-28(20)23(31)19(14-29)27-34(32,33)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20,27,29H,4,7,12-15H2,(H3,24,25)(H,26,30)/t19-,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jena
Curated by ChEMBL
| Assay Description In vitro inhibition of trypsin. |
Bioorg Med Chem Lett 12: 645-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NZ86XS |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50060014
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-2-(naphtha...)Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)C(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) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211575
((R)-N-[(3-chloro-benzylcarbamoyl)-methyl]-4-(1-oxy...)Show SMILES [O-][n+]1ccccc1CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C25H27ClN4O5S/c26-21-10-6-9-20(15-21)16-27-24(31)17-28-25(32)23(13-12-22-11-4-5-14-30(22)33)29-36(34,35)18-19-7-2-1-3-8-19/h1-11,14-15,23,29H,12-13,16-18H2,(H,27,31)(H,28,32)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50110025
(CHEMBL158405 | N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AM...)Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jena
Curated by ChEMBL
| Assay Description In vitro inhibition of trypsin. |
Bioorg Med Chem Lett 12: 645-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NZ86XS |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211560
(CHEMBL231292 | N-[(2-aminomethyl-5-chloro-benzylca...)Show SMILES CCCS(=O)(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:7.7| Show InChI InChI=1S/C22H30ClN5O5S/c1-2-11-34(32,33)27-20(9-8-19-5-3-4-10-28(19)31)22(30)26-15-21(29)25-14-17-12-18(23)7-6-16(17)13-24/h3-7,10,12,20,27H,2,8-9,11,13-15,24H2,1H3,(H,25,29)(H,26,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50211581
(2-((R)-1-((S)-2-((2-(aminomethyl)-5-chlorobenzyl)c...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccccn1)NCC(O)=O Show InChI InChI=1S/C24H30ClN5O4/c25-18-7-6-16(13-26)17(12-18)14-29-23(33)21-5-3-11-30(21)24(34)20(28-15-22(31)32)9-8-19-4-1-2-10-27-19/h1-2,4,6-7,10,12,20-21,28H,3,5,8-9,11,13-15,26H2,(H,29,33)(H,31,32)/t20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of thrombin |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50211559
(CHEMBL230360 | ethyl 2-((R)-1-((S)-2-((2-(aminomet...)Show SMILES CCOC(=O)CN[C@H](CCc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C27H35ClN4O5/c1-2-37-25(34)17-30-23(12-7-18-5-10-22(33)11-6-18)27(36)32-13-3-4-24(32)26(35)31-16-20-14-21(28)9-8-19(20)15-29/h5-6,8-11,14,23-24,30,33H,2-4,7,12-13,15-17,29H2,1H3,(H,31,35)/t23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of thrombin |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50211573
(CHEMBL390403 | ethyl 2-((R)-1-((S)-2-((2-(aminomet...)Show SMILES CCOC(=O)CN[C@H](CCc1ccccn1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C26H34ClN5O4/c1-2-36-24(33)17-30-22(11-10-21-6-3-4-12-29-21)26(35)32-13-5-7-23(32)25(34)31-16-19-14-20(27)9-8-18(19)15-28/h3-4,6,8-9,12,14,22-23,30H,2,5,7,10-11,13,15-17,28H2,1H3,(H,31,34)/t22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of thrombin |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50060035
(4-[(R)-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-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50060027
(3-[2-(4-tert-Butyl-benzenesulfonylamino)-3-(4-meth...)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(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) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50110016
(CHEMBL433510 | Carbonic acid 2-[1-(4-carbamimidoyl...)Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H35N5O7S/c1-17(2)14-37-26(34)38-15-22(31-39(35,36)16-20-7-5-4-6-8-20)25(33)30-18(3)24(32)29-13-19-9-11-21(12-10-19)23(27)28/h4-12,17-18,22,31H,13-16H2,1-3H3,(H3,27,28)(H,29,32)(H,30,33)/t18-,22+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jena
Curated by ChEMBL
| Assay Description In vitro inhibition of trypsin. |
Bioorg Med Chem Lett 12: 645-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NZ86XS |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211568
(CHEMBL395773 | N-[1-{[(2-aminomethyl-5-chloro-benz...)Show SMILES COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:7.7| Show InChI InChI=1S/C22H26ClN5O6/c1-34-22(32)21(31)27-18(8-7-17-4-2-3-9-28(17)33)20(30)26-13-19(29)25-12-15-10-16(23)6-5-14(15)11-24/h2-6,9-10,18H,7-8,11-13,24H2,1H3,(H,25,29)(H,26,30)(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50211557
(CHEMBL231595 | N-[1-{[(2-aminomethyl-5-chloro-benz...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NC(=O)C(O)=O |w:17.18| Show InChI InChI=1S/C21H24ClN5O6/c22-15-5-4-13(10-23)14(9-15)11-24-18(28)12-25-19(29)17(26-20(30)21(31)32)7-6-16-3-1-2-8-27(16)33/h1-5,8-9,17H,6-7,10-12,23H2,(H,24,28)(H,25,29)(H,26,30)(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of factor 10a |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50211566
(CHEMBL228340 | [(R)-1-[(S)-2-(2-aminomethyl-5-chlo...)Show SMILES CCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C26H34ClN5O5/c1-2-37-24(33)17-29-22(11-10-21-6-3-4-13-32(21)36)26(35)31-12-5-7-23(31)25(34)30-16-19-14-20(27)9-8-18(19)15-28/h3-4,6,8-9,13-14,22-23,29H,2,5,7,10-12,15-17,28H2,1H3,(H,30,34)/t22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of thrombin |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50060019
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)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-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50037996
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
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Similars
| PDB Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prothrombin
(Bos taurus (Bovine)) | BDBM50072840
(CHEMBL346607 | N-[1-(4-Diaminomethyl-benzyl)-2-oxo...)Show SMILES NC(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H33N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,26,30H,1,4-5,14-16,18,28-29H2,(H,31,33) | PDB
UniProtKB/SwissProt
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biochemie
Curated by ChEMBL
| Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant |
J Med Chem 41: 5445-56 (1999)
Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50060033
(3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...)Show SMILES CC1CCN(CC1)C(=O)C(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) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
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| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biochemie
Curated by ChEMBL
| Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant |
J Med Chem 41: 5445-56 (1999)
Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50060033
(3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...)Show SMILES CC1CCN(CC1)C(=O)C(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) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50041224
((R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biochemie
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards Coagulation factor X |
J Med Chem 41: 4240-50 (1998)
Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86 |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50060039
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2...)Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)NC(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) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
J Med Chem 40: 3091-9 (1997)
Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50110025
(CHEMBL158405 | N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AM...)Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jena
Curated by ChEMBL
| Assay Description In vitro inhibition of plasminogen activator urokinase. |
Bioorg Med Chem Lett 12: 645-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NZ86XS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50211585
(CHEMBL389960 | [(R)-1-[(S)-2-(2-aminomethyl-5-chlo...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)CC(O)=O Show InChI InChI=1S/C24H30ClN5O7S/c25-18-7-6-16(13-26)17(12-18)14-27-23(33)21-5-3-10-29(21)24(34)20(28-38(36,37)15-22(31)32)9-8-19-4-1-2-11-30(19)35/h1-2,4,6-7,11-12,20-21,28H,3,5,8-10,13-15,26H2,(H,27,33)(H,31,32)/t20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Discovery GmbH
Curated by ChEMBL
| Assay Description Inhibition of thrombin |
Bioorg Med Chem Lett 17: 3322-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K |
More data for this Ligand-Target Pair | |