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BDBM33706 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]ethanone::MLS000555798::SMR000172956::cid_1440701
SMILES: Cc1sc2nc(C)nc(SCC(=O)N3CCc4ccccc4C3)c2c1C
InChI Key: InChIKey=FWOMHORVBSHZTK-UHFFFAOYSA-N
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Prothrombin (Human) | BDBM33706![]() (1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...) | GoogleScholar | UniChem | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 23 | |
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| More data for this Ligand-Target Pair | |||||||||||||
| Solute carrier family 12 member 5 (Human) | BDBM33706![]() (1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...) | GoogleScholar | UniChem | n/a | n/a | n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Nucleotide-binding oligomerization domain-containing protein 2 (Human) | BDBM33706![]() (1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...) | GoogleScholar | UniChem | n/a | n/a | 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Kallikrein-5 (Human) | BDBM33706![]() (1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...) | GoogleScholar | UniChem | n/a | n/a | 4.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Nucleotide-binding oligomerization domain-containing protein 1 (Human) | BDBM33706![]() (1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...) | GoogleScholar | UniChem | n/a | n/a | n/a | n/a | 6.13E+3 | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Tumor necrosis factor (Human) | BDBM33706![]() (1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...) | GoogleScholar | UniChem | n/a | n/a | 8.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||