BDBM50076089 (3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methyl-6-(S)-methyl-piperidin-2-yl)-vinyl]-decahydro-naphtho[2,3-c]furan-1-one::(3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one::(3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2R,6S)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one::(3S,3aR,4R,4aS,8aR,9aS)-4-[2-((3S,5R)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one::4-[2-(1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one::4-[2-[1,6-dimethyl-(2R,6S)-hexahydro-2-pyridinyl]-(E)-1-ethenyl]-3-methyl-(3S,3aR,4R,4aS,8aR,9aS)-perhydrobenzo[f]isobenzofuran-1-one::CHEMBL277642

SMILES: C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12

InChI Key: InChIKey=FMPNFDSPHNUFOS-UHFFFAOYSA-N

Data: 21 KI  6 IC50  9 Kd

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 36 hits for monomerid = 50076089   

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
Acetylcholinesterase (Electric eel)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Rat)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Rat)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Mouse)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Rat)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Rat)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Rat)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Rat)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	334	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	548	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		4.5	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
Muscarinic acetylcholine receptor M2 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		4.5	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
Muscarinic acetylcholine receptor M2 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		10	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
Muscarinic acetylcholine receptor M2 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		10	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
Muscarinic acetylcholine receptor M2 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		10	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
Muscarinic acetylcholine receptor M2 (Rat)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		10	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
Muscarinic acetylcholine receptor M4 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		11	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
Muscarinic acetylcholine receptor M4 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		11	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
Muscarinic acetylcholine receptor M4 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		11	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
Muscarinic acetylcholine receptor M2 (Rat)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		13	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
Muscarinic acetylcholine receptor M1 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		48	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
Muscarinic acetylcholine receptor M2 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		48	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
Muscarinic acetylcholine receptor M1 (Rat)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		63	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
Muscarinic acetylcholine receptor M1 (Rat)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		79	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
Muscarinic acetylcholine receptor M3 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		93	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
Muscarinic acetylcholine receptor M3 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		93	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
Muscarinic acetylcholine receptor M3 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		93.3	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
Muscarinic acetylcholine receptor M1 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		107	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
Muscarinic acetylcholine receptor M1 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		107	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
Muscarinic acetylcholine receptor M1 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		107	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
Muscarinic acetylcholine receptor M5 (Human)	BDBM50076089 ((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...) Show SMILES Show InChI	GoogleScholar	UniChem		490	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