BindingDB BDBM60212 (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(oxidanyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::MLS000069607::NALTREXONE HYDROCHLORIDE::SMR000058767::US10988481, Compound NTX::US9107954, naltrexone::cid

BDBM60212 (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(oxidanyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::MLS000069607::NALTREXONE HYDROCHLORIDE::SMR000058767::US10988481, Compound NTX::US9107954, naltrexone::cid_5485201

SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

InChI Key InChIKey=DQCKKXVULJGBQN-XFWGSAIBSA-N

Data 190 KI 48 IC50 18 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 60212

Mu-type opioid receptor(GUINEA PIG)
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

Ki: 0.800nMAssay Description:Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1More data for this Ligand-Target Pair

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Kappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

Ki: 1.10nMAssay Description:Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1More data for this Ligand-Target Pair

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Delta-type opioid receptor(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

Ki: 11nMAssay Description:Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Delta-type opioid receptor(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 15nMAssay Description:Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Mu-type opioid receptor(GUINEA PIG)
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 0.730nMAssay Description:inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor muMore data for this Ligand-Target Pair

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Kappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 9.5nMAssay Description:Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPEMore data for this Ligand-Target Pair

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Mu-type opioid receptor(GUINEA PIG)
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 0.200nMAssay Description:Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligandMore data for this Ligand-Target Pair

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Kappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 0.5nMAssay Description:Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligandMore data for this Ligand-Target Pair

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Delta-type opioid receptor(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 10nMAssay Description:Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligandMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Kappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 0.530nMAssay Description:Tested for the binding affinity against the Kappa opioid receptor in guinea pig brain using [3H]U-69593More data for this Ligand-Target Pair

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Mu-type opioid receptor(GUINEA PIG)
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 0.230nMAssay Description:Tested for the binding affinity against the Mu opioid receptor in guinea pig brain using [3H]-DAMGOMore data for this Ligand-Target Pair

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Delta-type opioid receptor(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 10nMAssay Description:Tested for the binding affinity against the Delta opioid receptor in guinea pig brain using [3H]DPDPEMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Kappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 9.5nMAssay Description:Inhibition of opioid receptor kappa by displacing 0.5 nM [3H]bremazocine in guinea pig brain membraneMore data for this Ligand-Target Pair

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Mu-type opioid receptor(GUINEA PIG)
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 0.730nMAssay Description:Inhibition of opioid receptor mu by displacing 1 nM [3H]DAGO in guinea pig brain membraneMore data for this Ligand-Target Pair

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Delta-type opioid receptor(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 15nMAssay Description:Inhibition of Opioid receptor delta 1 by displacing 1 nM [3H]DPDPE in guinea pig brain membraneMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Delta-type/Kappa-type/Mu-type opioid receptor(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 5.70nMAssay Description:Inhibition of total opioid receptor by displacing 0.5 nM [3H]bremazocine in guinea pig brain membraneMore data for this Ligand-Target Pair

PDB Reactome pathway
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Delta-type/Kappa-type/Mu-type opioid receptor(Homo sapiens (Human))
University Of Washington

Curated by ChEMBL

BDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)

IC50: 5.70nMAssay Description:Inhibition of 0.5 nM [3H]bremazocine binding to guinea pig brain membrane opioid receptorsMore data for this Ligand-Target Pair

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Filter my 256 hits

Targets 7▿
- Mu-type opioid receptor 100
- Kappa-type opioid receptor 76
- Delta-type opioid receptor 68
- Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 5
- Delta-type/Kappa-type/Mu-type opioid receptor 5
- Solute carrier family 22 member 1 1
- Bile salt export pump 1
Publications 50▿
- J Med Chem 35: 2826-35 (1992) 12
- J Med Chem 49: 6104-10 (2006) 9
- Bioorg Med Chem Lett 19: 2289-94 (2009) 9
- Bioorg Med Chem Lett 8: 3149-52 (1999) 8
- J Med Chem 41: 4143-9 (1998) 8
- Bioorg Med Chem 23: 1701-15 (2015) 7
- NIDA Res Monogr 178: 440-66 (1998) 6
- Bioorg Med Chem Lett 17: 5349-52 (2007) 6
- J Med Chem 46: 1563-6 (2003) 6
- J Med Chem 41: 5188-97 (1999) 6
- US Patent US10988481 (2021) 6
- J Med Chem 41: 1980-90 (1998) 6
- J Med Chem 33: 1714-20 (1990) 6
- J Med Chem 46: 3174-7 (2003) 6
- J Med Chem 52: 1553-7 (2009) 5
- J Med Chem 50: 2254-8 (2007) 5
- J Med Chem 56: 9156-69 (2013) 5
- Bioorg Med Chem Lett 23: 3719-22 (2013) 4
- J Med Chem 35: 2374-84 (1992) 4
- Bioorg Med Chem 22: 4067-72 (2014) 4
- J Med Chem 49: 7290-306 (2006) 4
- J Med Chem 33: 2456-64 (1990) 4
- Bioorg Med Chem Lett 23: 5045-8 (2013) 4
- J Med Chem 49: 7278-89 (2006) 4
- J Med Chem 35: 4589-94 (1993) 4
- J Med Chem 38: 570-9 (1995) 3
- J Med Chem 46: 1775-94 (2003) 3
- J Med Chem 37: 4270-7 (1995) 3
- Bioorg Med Chem Lett 13: 1911-4 (2003) 3
- Bioorg Med Chem Lett 15: 2107-10 (2005) 3
- J Med Chem 49: 5333-8 (2006) 3
- Bioorg Med Chem Lett 21: 4001-4 (2011) 3
- Bioorg Med Chem Lett 19: 203-8 (2008) 3
- J Med Chem 40: 749-53 (1997) 3
- J Med Chem 34: 1757-62 (1991) 3
- Bioorg Med Chem Lett 11: 1717-21 (2001) 3
- Bioorg Med Chem Lett 17: 6841-6 (2007) 3
- J Med Chem 28: 974-6 (1985) 3
- ACS Med Chem Lett 10: 1641-1647 (2019) 3
- J Med Chem 47: 1400-12 (2004) 3
- J Med Chem 47: 5069-75 (2004) 3
- Mol Pharmacol 45: 330-4 (1994) 3
- J Med Chem 42: 3527-38 (1999) 3
- J Med Chem 50: 5176-82 (2007) 3
- J Med Chem 52: 1416-27 (2010) 3
- J Med Chem 39: 1816-22 (1996) 3
- J Med Chem 34: 1715-20 (1991) 3
- J Med Chem 29: 1222-5 (1987) 3
- Bioorg Med Chem Lett 19: 1825-9 (2009) 3
- Bioorg Med Chem 24: 5969-5987 (2016) 2
- ...
Institutions 19▿
- Virginia Commonwealth University 34
- Research Triangle Institute 31
- University Of Bath 27
- Rensselaer Polytechnic Institute 18
- University Of Washington 17
- University Of Minnesota 15
- University Of Bristol 12
- National Institute Of Diabetes And Digestive And Kidney Diseases 12
- Eli Lilly 9
- Adolor 8
- Southern Research Institute 6
- TBA 6
- Sri International 6
- Harvard Medical School 5
- Universit£ 4
- Pharmacia 3
- Theravance Biopharma Us 3
- University Of Pennsylvania 3
- Memorial Sloan-Kettering Cancer Center 3
- ...
Affinity: 0.070 to 1.0E+6 nM▿
- Ki 190
- IC50 48
- EC50 18
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1