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BDBM413842 4-({(2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]phenyl}-5-methoxy-2-oxopyridin-1(2H)-yl]butanoyl}amino)-2-fluorobenzamide (Enantiomer 2)::US10421742, Example 235::US11180471, Example 235::US20250051303, Example 1
SMILES: CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
InChI Key: InChIKey=XYWIPYBIIRTJMM-UHFFFAOYSA-N
Data: 13 IC50
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Coagulation factor XI (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Plasma kallikrein (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor XI (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Plasma kallikrein (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor XI (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Plasma kallikrein (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor XI (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Plasma kallikrein (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor XI (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Plasma kallikrein (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Plasma kallikrein (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor XI (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor XI (Human) | BDBM413842![]() (US10421742, Example 235 | 4-({(2S)-2-[4-{5-Chloro-...) | GoogleScholar | UniChem | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||