BDBM54795 (4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::(4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::MLS000069540::NALOXONE HYDROCHLORIDE::SMR000058766::cid_5464092

SMILES: C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O

InChI Key: InChIKey=UZHSEJADLWPNLE-UHFFFAOYSA-N

Data: 2 KI  6 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 8 hits for monomerid = 54795   

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
Kappa-type opioid receptor (Human)	BDBM54795 ((4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	616	n/a	n/a	n/a	n/a	n/a	n/a
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Kappa-type opioid receptor (Human)	BDBM54795 ((4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
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Delta-type/Kappa-type/Mu-type opioid receptor (Human)	BDBM54795 ((4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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Delta-type/Kappa-type/Mu-type opioid receptor (Human)	BDBM54795 ((4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2J2 (Human)	BDBM54795 ((4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM54795 ((4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Mu-type opioid receptor (Guinea pig)	BDBM54795 ((4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl...) Show SMILES Show InChI	GoogleScholar	UniChem		2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Kappa-type opioid receptor (Guinea pig)	BDBM54795 ((4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl...) Show SMILES Show InChI	GoogleScholar	UniChem		7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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