BDBM25524 17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2,4(8),9,11,14(19),15,17,20-nonaen-21-ium::CHEMBL13045::CHEMBL258893::Chelerytherine::Toddalin::chelerythrine

SMILES: C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5

InChI Key: InChIKey=LLEJIEBFSOEYIV-UHFFFAOYSA-N

Data: 8 KI  18 IC50

PDB links: 7 PDB IDs match 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 26 hits for monomerid = 25524   

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
Ras-related C3 botulinum toxin substrate 1 (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Aromatic-L-amino-acid decarboxylase (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.28E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Cholinesterase (Horse)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cholinesterase (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) 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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Acetylcholinesterase (Electric eel)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Protein kinase C epsilon type (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
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Bcl-2-like protein 1 (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	8.0	22
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Cell division control protein 42 homolog (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Peroxisome proliferator-activated receptor gamma (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	566	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholinesterase (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Peroxisome proliferator-activated receptor gamma (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	566	n/a	n/a	n/a	n/a	n/a	n/a
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Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Rabbit)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<5.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Amine oxidase [flavin-containing] B (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Amine oxidase [flavin-containing] A (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
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Amine oxidase [flavin-containing] A (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electric eel)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Protein kinase C alpha type (Rat)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electric eel)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Bcl-2-like protein 2 (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Apoptosis regulator Bcl-2 (Human)	BDBM25524 (CHEMBL13045 | 17,18-dimethoxy-21-methyl-5,7-dioxa-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.71E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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