BDBM179901 US10231963, Table C.5::US10287250, Compound 14::US10736890, Compound TABLE C.5::US10752592, Compound TABLE D.5::US11534436, Compound Table C.5::US9133125, Table D, Compound 14::US9656961, Example 00169

SMILES COCCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(cc21)C(N)=O

InChI Key InChIKey=SITDOBWLTOMKHJ-BJOOFOGMSA-N

Data  7 KI  7 IC50  5 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 179901   

TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataKi:  0.120nM ΔG°:  -13.5kcal/mole IC50:  14nMpH: 7.5 T: 2°CAssay Description:The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...More data for this Ligand-Target Pair

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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataKi:  0.120nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair

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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataKi:  0.120nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair

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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataKi:  0.120nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair

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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataKi:  0.120nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair

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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataKi:  0.120nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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Ligand InfoPC cidPC sidSimilars

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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataKi:  0.120nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataIC50:  14nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair

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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataIC50:  14nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataEC50:  2.20nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair

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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataIC50:  14nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataIC50:  14nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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Ligand InfoPC cidPC sidSimilars

In DepthDetails US Patent
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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataEC50:  2.20nMpH: 7.4Assay Description:The EC50 and Imax for μ opioid receptors was determined using a [I35S]GTPγS binding assay. This assay measures the functional properties of a compo...More data for this Ligand-Target Pair

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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataIC50:  14nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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Ligand InfoPC cidPC sidSimilars

In DepthDetails US Patent
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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataIC50:  14nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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Ligand InfoPC cidPC sidSimilars

In DepthDetails US Patent
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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataEC50:  2.20nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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Ligand InfoPC cidPC sidSimilars

In DepthDetails US Patent
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TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataEC50:  2.20nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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Ligand InfoPC cidPC sidSimilars

In DepthDetails US Patent
Copy BDB DOI

TargetMu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

LigandBDBM179901(US10231963, Table C.5 | US10287250, Compound 14 | ...)Copy SMILESCopy InChI

Affinity DataEC50:  2.20nMAssay Description:The EC50 and Imax for μ opioid receptors was determined using a [35S]GTPγS binding assay. This assay measures the functional properties of ...More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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Ligand InfoPC cidPC sidSimilars

In DepthDetails US Patent
Copy BDB DOI