null

SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34

InChI Key InChIKey=KPJZHOPZRAFDTN-ZRGWGRIASA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 30708   

Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Medical University of Warsaw

Curated by ChEMBL
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataKi:  0.794nMAssay Description:Binding affinity to 5-HT2CR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W0996HPubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Medical University of Warsaw

Curated by ChEMBL
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataKi:  1.90nMAssay Description:Binding affinity to 5-HT2BR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W0996HPubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Medical University of Warsaw

Curated by ChEMBL
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W0996HPubMed
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataEC50: >4.00E+4nMAssay Description:External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PN941WPCBioAssay
TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataEC50:  1.23E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2D798VPPCBioAssay
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataEC50:  1.03E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28G8J4CPCBioAssay
TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataEC50:  2.00E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2D798VPPCBioAssay
TargetGlycoprotein 42(Human herpesvirus 4 type 2)
Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataIC50: 5.69E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2057DCWPCBioAssay
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataEC50:  1.43E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28G8J4CPCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataIC50: 2.04E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2J67FCMPCBioAssay
TargetBcl-2-like protein 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataIC50: 2.26E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6PNWPCBioAssay
Target14-3-3 protein gamma(Homo sapiens (Human))
Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 pr...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2V986FTPCBioAssay
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Medical University of Warsaw

Curated by ChEMBL
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataEC50:  1.71E+4nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q21N7ZG0PCBioAssay
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Medical University of Warsaw

Curated by ChEMBL
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataEC50:  1.08E+3nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2WW7G03PCBioAssay
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30708((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)copy SMILEScopy InChI
Affinity DataEC50:  37.5nMpH: 7.4 T: 2°CAssay Description:The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q52MZMPCBioAssay