Compound Detail
CHEMBL3899092
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL3899092 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZBOYSHKOMXATSO-BSAZQYCTSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
2315.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.54
IC50 1 meas. best 7.57
Kd 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.82 | 7.82 | 15.0 | 1 |
| Tissue factor pathway inhibitor CHEMBL3713062 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Tissue factor pathway inhibitor CHEMBL3713062 | EC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 15.0 | nM | 7.82 | Binding affinity to C-terminal 10x-His-tagged human TFPI-1 (29 to 282 residues) ... | - |
| Tissue factor pathway inhibitor | IC50 | = | 27.0 | nM | 7.57 | Binding affinity to immobilized human TFPI-1alpha assessed as inhibition of biot... | - |
| Tissue factor pathway inhibitor | EC50 | = | 290.0 | nM | 6.54 | Inhibition of TFPI (unknown origin) using FXa-specific chromogenic substrate S22... | - |
Data from ChEMBL 36 via Core Engine