BDBM205457 (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid::Celastrol::US11660306, Example Celastrol::acs.jmedchem.1c00409_ST.357

SMILES: CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O

InChI Key: InChIKey=KQJSQWZMSAGSHN-UHFFFAOYSA-N

Data: 3 KI  7 IC50  1 Kd

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 11 hits for monomerid = 205457   

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
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (Human)	BDBM205457 (Celastrol | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	7.5	25
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Ubiquitin carboxyl-terminal hydrolase isozyme L3 (Human)	BDBM205457 (Celastrol | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a	7.5	25
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Ubiquitin carboxyl-terminal hydrolase isozyme L5 (Human)	BDBM205457 (Celastrol | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.66E+4	n/a	n/a	n/a	n/a	7.5	25
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Ubiquitin carboxyl-terminal hydrolase 2 (Human)	BDBM205457 (Celastrol | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.87E+4	n/a	n/a	n/a	n/a	7.5	25
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Ubiquitin carboxyl-terminal hydrolase 15 (Human)	BDBM205457 (Celastrol | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.28E+4	n/a	n/a	n/a	n/a	7.5	25
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L-ornithine N(5)-monooxygenase (Neosartorya fumigata (Aspergillus fumigatus))	BDBM205457 (Celastrol | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	7.0	n/a
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L-ornithine N(5)-monooxygenase (Neosartorya fumigata (Aspergillus fumigatus))	BDBM205457 (Celastrol | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	7.5	n/a
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Replicase polyprotein 1ab (SARS-CoV)	BDBM205457 (Celastrol | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1ab (SARS-CoV)	BDBM205457 (Celastrol | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein phosphatase non-receptor type 1 [1-405] (Human)	BDBM205457 (Celastrol | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein phosphatase non-receptor type 1 [1-321] (Human)	BDBM205457 (Celastrol | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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