Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50017418 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 VII/Tissue factor
(Homo sapiens (Human)) | BDBM50181921
(2-[5-(5-carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-...)Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H20N4O7/c26-24(27)13-4-5-20-15(6-13)10-21(28-20)19-9-14(18(25(33)34)11-22(30)31)8-17(23(19)32)12-2-1-3-16(7-12)29(35)36/h1-10,18,28,32H,11H2,(H3,26,27)(H,30,31)(H,33,34) | PDB
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PC sid
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to factor7a/TF complex |
Bioorg Med Chem Lett 16: 2243-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50181916
(CHEMBL206168 | [5-(5-carbamimidoyl-1H-benzoimidazo...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cc(F)ccc1O Show InChI InChI=1S/C22H17FN4O4/c23-12-2-4-18(28)13(9-12)14-5-10(7-19(29)30)6-15(20(14)31)22-26-16-3-1-11(21(24)25)8-17(16)27-22/h1-6,8-9,28,31H,7H2,(H3,24,25)(H,26,27)(H,29,30) | PDB
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to factor7a/TF complex |
Bioorg Med Chem Lett 16: 2243-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM13778
(2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...)Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29) | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to factor7a/TF complex |
Bioorg Med Chem Lett 16: 2243-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM14898
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35) | PDB
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PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to factor7a/TF complex |
Bioorg Med Chem Lett 16: 2243-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50181919
(2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-fl...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(CC(O)=O)C(O)=O)cc(c1O)-c1cc(F)ccc1O Show InChI InChI=1S/C25H21FN4O6/c26-14-2-4-20(31)15(10-14)16-6-11(5-13(25(35)36)9-21(32)33)7-17(22(16)34)24-29-18-3-1-12(23(27)28)8-19(18)30-24/h1-4,6-8,10,13,31,34H,5,9H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36) | PDB
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PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to factor7a/TF complex |
Bioorg Med Chem Lett 16: 2243-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50181917
(3-[5-(5-carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-...)Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)C(CC(O)=O)CC(O)=O Show InChI InChI=1S/C26H22N4O7/c27-26(28)14-4-5-21-17(6-14)10-22(29-21)20-9-15(16(11-23(31)32)12-24(33)34)8-19(25(20)35)13-2-1-3-18(7-13)30(36)37/h1-10,16,29,35H,11-12H2,(H3,27,28)(H,31,32)(H,33,34) | PDB
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to factor7a/TF complex |
Bioorg Med Chem Lett 16: 2243-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM13776
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17-18(10-13)26-22(25-17)16-7-11(8-19(28)29)6-15(20(16)30)12-2-1-3-14(9-12)27(31)32/h1-7,9-10,30H,8H2,(H3,23,24)(H,25,26)(H,28,29) | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to factor7a/TF complex |
Bioorg Med Chem Lett 16: 2243-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50181915
(2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6-hyd...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)[N+]([O-])=O)c1O)C(CCC(O)=O)C(O)=O Show InChI InChI=1S/C25H21N5O7/c26-23(27)13-4-6-19-20(11-13)29-24(28-19)18-10-14(16(25(34)35)5-7-21(31)32)9-17(22(18)33)12-2-1-3-15(8-12)30(36)37/h1-4,6,8-11,16,33H,5,7H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35) | PDB
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to factor7a/TF complex |
Bioorg Med Chem Lett 16: 2243-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50181920
(2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6-hyd...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(C(O)=O)C(O)=O)cc(-c2cccc(c2)[N+]([O-])=O)c1O Show InChI InChI=1S/C24H19N5O7/c25-21(26)13-4-5-18-19(10-13)28-22(27-18)16-7-11(8-17(23(31)32)24(33)34)6-15(20(16)30)12-2-1-3-14(9-12)29(35)36/h1-7,9-10,17,30H,8H2,(H3,25,26)(H,27,28)(H,31,32)(H,33,34) | PDB
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| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to factor7a/TF complex |
Bioorg Med Chem Lett 16: 2243-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM14908
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)[N+]([O-])=O)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19N5O7/c25-22(26)12-4-5-18-19(9-12)28-23(27-18)17-8-13(16(24(33)34)10-20(30)31)7-15(21(17)32)11-2-1-3-14(6-11)29(35)36/h1-9,16,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34) | PDB
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PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to factor7a/TF complex |
Bioorg Med Chem Lett 16: 2243-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50181918
(3-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6-hyd...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)[N+]([O-])=O)c1O)C(CC(O)=O)CC(O)=O Show InChI InChI=1S/C25H21N5O7/c26-24(27)13-4-5-19-20(9-13)29-25(28-19)18-8-14(15(10-21(31)32)11-22(33)34)7-17(23(18)35)12-2-1-3-16(6-12)30(36)37/h1-9,15,35H,10-11H2,(H3,26,27)(H,28,29)(H,31,32)(H,33,34) | PDB
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PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to factor7a/TF complex |
Bioorg Med Chem Lett 16: 2243-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.037
BindingDB Entry DOI: 10.7270/Q2GB23NX |
More data for this
Ligand-Target Pair | |
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