Found 13 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 |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50189939
(5-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-6-hydrox...)Show SMILES Nc1nccc2[nH]c(cc12)-c1cc(cc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O)C(O)=O Show InChI InChI=1S/C30H26N4O5/c31-28-23-15-25(34-24(23)9-10-32-28)22-14-20(30(38)39)13-21(27(22)36)19-8-4-7-18(11-19)16-33-29(37)26(35)12-17-5-2-1-3-6-17/h1-11,13-15,26,34-36H,12,16H2,(H2,31,32)(H,33,37)(H,38,39)/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | 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 f7a/TF complex |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50189938
(2-{5-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-3'-[3...)Show SMILES CC(C)(C(O)=O)c1cc(-c2cc3c(N)nccc3[nH]2)c(O)c(c1)-c1cccc(CNC(=O)Nc2c(F)cccc2F)c1 Show InChI InChI=1S/C31H27F2N5O4/c1-31(2,29(40)41)18-12-19(27(39)20(13-18)25-14-21-24(37-25)9-10-35-28(21)34)17-6-3-5-16(11-17)15-36-30(42)38-26-22(32)7-4-8-23(26)33/h3-14,37,39H,15H2,1-2H3,(H2,34,35)(H,40,41)(H2,36,38,42) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.60 | 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 f7a/TF complex |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM14863
(({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2...)Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C22H20N6O3/c23-20(24)12-5-6-16-17(9-12)28-21(27-16)14-3-1-2-13(19(14)30)15-8-11(4-7-18(15)29)10-26-22(25)31/h1-9,29-30H,10H2,(H3,23,24)(H,27,28)(H3,25,26,31) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article 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 f7a/TF complex |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50189941
(2-{5-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-6-hyd...)Show SMILES CC(C)(C(O)=O)c1cc(-c2cc3c(N)nccc3[nH]2)c(O)c(c1)-c1cccc(CNC(=O)[C@@H](O)Cc2ccccc2)c1 Show InChI InChI=1S/C33H32N4O5/c1-33(2,32(41)42)22-15-23(29(39)24(16-22)27-17-25-26(37-27)11-12-35-30(25)34)21-10-6-9-20(13-21)18-36-31(40)28(38)14-19-7-4-3-5-8-19/h3-13,15-17,28,37-39H,14,18H2,1-2H3,(H2,34,35)(H,36,40)(H,41,42)/t28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 f7a/TF complex |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50189942
(4-{3-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-5...)Show SMILES CC(C)(C(O)=O)c1cc(-c2cc3c(N)nccc3[nH]2)c(O)c(c1)-c1cccc(CNC(=O)Nc2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C32H29N5O6/c1-32(2,30(41)42)20-13-22(27(38)23(14-20)26-15-24-25(37-26)10-11-34-28(24)33)19-5-3-4-17(12-19)16-35-31(43)36-21-8-6-18(7-9-21)29(39)40/h3-15,37-38H,16H2,1-2H3,(H2,33,34)(H,39,40)(H,41,42)(H2,35,36,43) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | 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 f7a/TF complex |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50189937
((S)-N-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-...)Show SMILES Nc1nccc2[nH]c(cc12)-c1cccc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O Show InChI InChI=1S/C29H26N4O3/c30-28-23-16-25(33-24(23)12-13-31-28)22-11-5-10-21(27(22)35)20-9-4-8-19(14-20)17-32-29(36)26(34)15-18-6-2-1-3-7-18/h1-14,16,26,33-35H,15,17H2,(H2,30,31)(H,32,36)/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 81 | 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 f7a/TF complex |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50189940
((S)-2-hydroxy-N-[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]p...)Show SMILES O[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O Show InChI InChI=1S/C29H25N3O3/c33-27(15-19-6-2-1-3-7-19)29(35)31-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)34)26-16-22-18-30-13-12-25(22)32-26/h1-14,16,18,27,32-34H,15,17H2,(H,31,35)/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 220 | 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 f7a/TF complex |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM14863
(({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2...)Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C22H20N6O3/c23-20(24)12-5-6-16-17(9-12)28-21(27-16)14-3-1-2-13(19(14)30)15-8-11(4-7-18(15)29)10-26-22(25)31/h1-9,29-30H,10H2,(H3,23,24)(H,27,28)(H3,25,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.70E+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 f10a |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50189940
((S)-2-hydroxy-N-[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]p...)Show SMILES O[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O Show InChI InChI=1S/C29H25N3O3/c33-27(15-19-6-2-1-3-7-19)29(35)31-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)34)26-16-22-18-30-13-12-25(22)32-26/h1-14,16,18,27,32-34H,15,17H2,(H,31,35)/t27-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+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 f10a |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50189937
((S)-N-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-...)Show SMILES Nc1nccc2[nH]c(cc12)-c1cccc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O Show InChI InChI=1S/C29H26N4O3/c30-28-23-16-25(33-24(23)12-13-31-28)22-11-5-10-21(27(22)35)20-9-4-8-19(14-20)17-32-29(36)26(34)15-18-6-2-1-3-7-18/h1-14,16,26,33-35H,15,17H2,(H2,30,31)(H,32,36)/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.40E+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 f10a |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM14863
(({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2...)Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C22H20N6O3/c23-20(24)12-5-6-16-17(9-12)28-21(27-16)14-3-1-2-13(19(14)30)15-8-11(4-7-18(15)29)10-26-22(25)31/h1-9,29-30H,10H2,(H3,23,24)(H,27,28)(H3,25,26,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9.00E+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 thrombin |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50189937
((S)-N-[3'-(4-amino-1H-pyrrolo[3,2-c]pyridin-2-yl)-...)Show SMILES Nc1nccc2[nH]c(cc12)-c1cccc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c1O Show InChI InChI=1S/C29H26N4O3/c30-28-23-16-25(33-24(23)12-13-31-28)22-11-5-10-21(27(22)35)20-9-4-8-19(14-20)17-32-29(36)26(34)15-18-6-2-1-3-7-18/h1-14,16,26,33-35H,15,17H2,(H2,30,31)(H,32,36)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.90E+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 thrombin |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50189940
((S)-2-hydroxy-N-[2'-hydroxy-3'-(1H-pyrrolo[3,2-c]p...)Show SMILES O[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O Show InChI InChI=1S/C29H25N3O3/c33-27(15-19-6-2-1-3-7-19)29(35)31-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)34)26-16-22-18-30-13-12-25(22)32-26/h1-14,16,18,27,32-34H,15,17H2,(H,31,35)/t27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+5 | 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 thrombin |
Bioorg Med Chem Lett 16: 4567-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.016 BindingDB Entry DOI: 10.7270/Q2NG4Q67 |
More data for this Ligand-Target Pair | |