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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

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 80086   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-galactosidase


(Escherichia coli)
BDBM80086
PNG
(cid_9958995 | (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-i...)
GoogleScholar
UniChem
n/an/a>6.66E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Human)
BDBM80086
PNG
(cid_9958995 | (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-i...)
GoogleScholar
UniChem
n/an/a 1.15E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Human)
BDBM80086
PNG
(cid_9958995 | (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-i...)
GoogleScholar
UniChem
n/an/a 3.80E+4n/an/an/an/a7.025


TBA



Citation and Details
More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Human)
BDBM80086
PNG
(cid_9958995 | (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-i...)
GoogleScholar
UniChem
n/an/a 3.80E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair