BDBM42459 1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-ylidene)azepan-1-ium;iodide::1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)azepan-1-ium;iodide::1-(5,5-dimethyl-3-pyrrolidino-cyclohex-2-en-1-ylidene)azepan-1-ium;iodide::1-[5,5-dimethyl-3-(1-pyrrolidinyl)-1-cyclohex-2-enylidene]azepan-1-ium;iodide::MLS001011154::SMR000353130::cid_16196225

SMILES: [#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1

InChI Key: InChIKey=HAVGSLHTMACANT-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 42459   

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
Neuropeptide Y receptor type 1 (Human)	BDBM42459 (MLS001011154 | SMR000353130 | 1-(5,5-dimethyl-3-py...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Neuropeptide Y receptor type 2 (Human)	BDBM42459 (MLS001011154 | SMR000353130 | 1-(5,5-dimethyl-3-py...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Human)	BDBM42459 (MLS001011154 | SMR000353130 | 1-(5,5-dimethyl-3-py...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Human)	BDBM42459 (MLS001011154 | SMR000353130 | 1-(5,5-dimethyl-3-py...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	4.99E+3	n/a	n/a	n/a	n/a
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Tumor necrosis factor (Human)	BDBM42459 (MLS001011154 | SMR000353130 | 1-(5,5-dimethyl-3-py...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair