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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50131046   

LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
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 Depth
Date in BDB:
7/2/2018
Entry Details Article
PubMed
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Human)
Changzhou University

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 1.23E+3nMAssay Description:Inhibition of PDE5A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCholinesterase(Horse)
Anhui Medical University

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
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 Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Anhui Medical University

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
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 Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 2.78E+4nMAssay Description:Inhibition of human MMP9 by quenched fluorescense assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2020
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 55nMAssay Description:Inhibition of recombinant CYP1B1 (unknown origin) expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2019
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Devi Ahilya Vishwavidyalaya

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 280nMAssay Description:Inhibition of COX2 in BMMC cells assessed as PGD2 generationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Devi Ahilya Vishwavidyalaya

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of COX1 in BMMC cells assessed as PGD2 generationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Devi Ahilya Vishwavidyalaya

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 300nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Devi Ahilya Vishwavidyalaya

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
National Research Institute of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 22nMAssay Description:Inhibition of Cytochrome P450 1A2 enzyme in bacterial membrane expressing human P450sMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2012
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 55nMAssay Description:Inhibition of human Cytochrome P450 1B1 expressed in bacterial membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2012
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
National Research Institute of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 260nMAssay Description:Inhibition of Cytochrome P450 1A1 enzyme in bacterial membrane expressing human P450sMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2012
Entry Details Article
PubMed
TargetCholinesterase(Horse)
Anhui Medical University

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 1.00E+5nMAssay Description:inhibition of equine serum BuChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Anhui Medical University

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
Affinity DataIC50: 1.00E+5nMAssay Description:inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetNuclear hormone receptor family member daf-12(Caenorhabditis elegans)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
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 Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay
TargetOxysterols receptor LXR-beta(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
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 Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
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 Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50131046(CHEMBL85139 | cid_65752 | rutaecarpine | 8,13-Dihy...)
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 Depth
Date in BDB:
8/25/2010
Entry Details Article