BDBM50241262 (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetoxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid::3-O-acetyl-11-keto-beta-boswellic acid::3-acetyl-11-keto-beta-boswellic acid::3alpha-acetoxy-11-keto-beta-boswellic acid::CHEMBL237111

SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C

InChI Key: InChIKey=HMMGKOVEOFBCAU-UHFFFAOYSA-N

Data: 14 IC50

PDB links: 1 PDB ID matches this monomer.

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 14 hits for monomerid = 50241262   

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
Prostaglandin E synthase (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Prostaglandin G/H synthase 2 (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Prostaglandin G/H synthase 1 (Sheep)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid lipoxygenase ALOX15B (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Sheep)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Prolyl endopeptidase (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Human)	BDBM50241262 (3-O-acetyl-11-keto-beta-boswellic acid | 3alpha-ac...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair