BDBM30708 (6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleate::(6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleic acid::(6aR,9R)-4,7-dimethyl-N-[(2S)-1-oxidanylbutan-2-yl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid::(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-2-butenedioic acid::(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid::METHYSERGIDE MALEATE::MLS000069364::SMR000058483::cid_5281073
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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Warsaw Curated by ChEMBL | Assay Description Binding affinity to 5-HT2CR (unknown origin) | Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111736 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Warsaw Curated by ChEMBL | Assay Description Binding affinity to 5-HT2BR (unknown origin) | Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111736 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Warsaw Curated by ChEMBL | Assay 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... | Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111736 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PN941W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RecName: Full=Zinc finger protein mex-5 (Caenorhabditis elegans) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D798VP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
POsterior Segregation family member (pos-1) (Caenorhabditis elegans) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28G8J4C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RecName: Full=Zinc finger protein mex-5 (Caenorhabditis elegans) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D798VP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BZLF2 (Human herpesvirus 4 type 2) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 5.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
POsterior Segregation family member (pos-1) (Caenorhabditis elegans) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.43E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28G8J4C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 2.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J67FCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-like protein 1 (Homo sapiens (Human)) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DF6PNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide (Homo sapiens (Human)) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay 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... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2V986FT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.71E+4 | n/a | n/a | 7.4 | 23 |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay 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... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q21N7ZG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.08E+3 | n/a | n/a | 7.4 | 23 |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay 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... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WW7G03 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM30708 ((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 37.5 | n/a | n/a | 7.4 | 23 |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay 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... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q52MZM | |||||||||||
More data for this Ligand-Target Pair |