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BDBM50131046 8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one::CHEMBL85139::cid_65752::rutaecarpine
SMILES: O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12
InChI Key: InChIKey=ACVGWSKVRYFWRP-UHFFFAOYSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor by vacuum filtration | J Nat Prod 60: 1196-1198 (1997) Article DOI: 10.1021/np960678l BindingDB Entry DOI: 10.7270/Q2P84BWW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 1.08E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycin | Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University Curated by ChEMBL | Assay Description inhibition of electic eel AChE by Ellman's method | Eur J Med Chem 45: 1415-23 (2010) Article DOI: 10.1016/j.ejmech.2009.12.044 BindingDB Entry DOI: 10.7270/Q2CN742S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University Curated by ChEMBL | Assay Description inhibition of equine serum BuChE by Ellman's method | Eur J Med Chem 45: 1415-23 (2010) Article DOI: 10.1016/j.ejmech.2009.12.044 BindingDB Entry DOI: 10.7270/Q2CN742S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Institute of Chinese Medicine Curated by ChEMBL | Assay Description Inhibition of Cytochrome P450 1A1 enzyme in bacterial membrane expressing human P450s | Bioorg Med Chem Lett 13: 2535-8 (2003) BindingDB Entry DOI: 10.7270/Q2805341 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Institute of Chinese Medicine Curated by ChEMBL | Assay Description Inhibition of Cytochrome P450 1B1 enzyme in bacterial membrane expressing human P450s | Bioorg Med Chem Lett 13: 2535-8 (2003) BindingDB Entry DOI: 10.7270/Q2805341 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Institute of Chinese Medicine Curated by ChEMBL | Assay Description Inhibition of Cytochrome P450 1A2 enzyme in bacterial membrane expressing human P450s | Bioorg Med Chem Lett 13: 2535-8 (2003) BindingDB Entry DOI: 10.7270/Q2805341 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Vanilloid receptor (Rattus norvegicus (rat)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonist activity at rat TRPV1 channel expressed in HEK293 cells assessed as induction of channel current at -60 mV holding potential by whole-cell pa... | J Nat Prod 79: 1225-30 (2016) Article DOI: 10.1021/acs.jnatprod.5b00599 BindingDB Entry DOI: 10.7270/Q2M047D0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of COX1 | J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cyclooxygenase (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of COX2 | J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Devi Ahilya Vishwavidyalaya Curated by ChEMBL | Assay Description Inhibition of COX1 in BMMC cells assessed as PGD2 generation | Bioorg Med Chem 20: 7119-27 (2012) Article DOI: 10.1016/j.bmc.2012.09.069 BindingDB Entry DOI: 10.7270/Q20866GD | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cyclooxygenase (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Devi Ahilya Vishwavidyalaya Curated by ChEMBL | Assay Description Inhibition of COX2 in BMMC cells assessed as PGD2 generation | Bioorg Med Chem 20: 7119-27 (2012) Article DOI: 10.1016/j.bmc.2012.09.069 BindingDB Entry DOI: 10.7270/Q20866GD | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Curated by ChEMBL | Assay Description Inhibition of recombinant CYP1B1 (unknown origin) expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after... | Eur J Med Chem 135: 296-306 (2017) Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of human MMP9 by quenched fluorescense assay | Bioorg Med Chem Lett 16: 6178-80 (2006) Article DOI: 10.1016/j.bmcl.2006.09.042 BindingDB Entry DOI: 10.7270/Q2C25069 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Anhui Medical University Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured afte... | Eur J Med Chem 177: 198-211 (2019) Article DOI: 10.1016/j.ejmech.2019.05.055 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cholinesterase (Equus caballus (Horse)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Anhui Medical University Curated by ChEMBL | Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition a... | Eur J Med Chem 177: 198-211 (2019) Article DOI: 10.1016/j.ejmech.2019.05.055 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Protein DAF-12, isoform a (Caenorhabditis elegans) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 6.76E+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: UT Southwestern Assay Provider: David Mangelsdorf,... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2736PK0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Changzhou University Curated by ChEMBL | Assay Description Inhibition of PDE5A (unknown origin) | Bioorg Med Chem Lett 30: (2020) | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Oxysterols receptor LXR-beta (Homo sapiens (Human)) | BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 6.76E+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: UT Southwestern Assay Provider: David Mangelsdorf,... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2TX3D2C | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
