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

Data  2 KI  16 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50131046   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]8-OH-DPAT from 5HT1A receptor by vacuum filtrationMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataKi:  1.08E+5nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50: >1.00E+5nMAssay Description:inhibition of electic eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50: >1.00E+5nMAssay Description:inhibition of equine serum BuChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
National Research Institute Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  260nMAssay Description:Inhibition of Cytochrome P450 1A1 enzyme in bacterial membrane expressing human P450sMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
National Research Institute Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  55nMAssay Description:Inhibition of Cytochrome P450 1B1 enzyme in bacterial membrane expressing human P450sMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
National Research Institute Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  22nMAssay Description:Inhibition of Cytochrome P450 1A2 enzyme in bacterial membrane expressing human P450sMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataEC50:  2.06E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  8.70E+3nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  300nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  8.70E+3nMAssay Description:Inhibition of COX1 in BMMC cells assessed as PGD2 generationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  280nMAssay Description:Inhibition of COX2 in BMMC cells assessed as PGD2 generationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
National Research Institute Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  55nMAssay Description:Inhibition of human CYP1B1 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  2.78E+4nMAssay Description:Inhibition of human MMP9 by quenched fluorescense assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured afte...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear hormone receptor family member daf-12(Caenorhabditis elegans)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  6.76E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Changzhou University

Curated by ChEMBL
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  1.23E+3nMAssay Description:Inhibition of PDE5A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50131046(8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...)
Affinity DataIC50:  6.76E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay