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BDBM80086 (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-carbonyl)-3,13-diketo-4,4,6a,6b,11,11,14b-heptamethyl-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile::(4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile::(4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-[1-imidazolyl(oxo)methyl]-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile::(4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-imidazol-1-ylcarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-3,13-bis(oxidanylidene)-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile::CDDO-Im, 1::MLS002702501::SMR001566062::cid_9958995
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(=O)n1ccnc1
InChI Key: InChIKey=ITFBYYCNYVFPKD-UHFFFAOYSA-N
Data: 3 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Beta-galactosidase (Escherichia coli) | BDBM80086![]() (cid_9958995 | (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-i...) | GoogleScholar | UniChem | n/a | n/a | >6.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| C-C chemokine receptor type 6 (Human) | BDBM80086![]() (cid_9958995 | (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-i...) | GoogleScholar | UniChem | n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Ghrelin O-acyltransferase (Human) | BDBM80086![]() (cid_9958995 | (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-i...) | GoogleScholar | UniChem | n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | 7.0 | 25 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Ghrelin O-acyltransferase (Human) | BDBM80086![]() (cid_9958995 | (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-i...) | GoogleScholar | UniChem | n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||