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BDBM50174412 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole::9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole9-OCH3-E::9-methoxy ellipticine::9-methoxyellipticine::CHEMBL19954::O-methylellipticine::cid_72512

SMILES: COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1

InChI Key: InChIKey=BKRMCDAOAQWNTG-UHFFFAOYSA-N

Data: 11 IC50  8 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50174412   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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PubMed
n/an/a<5.42E+5n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of HIV1 RT


J Nat Prod 54: 143-54


Article DOI: 10.1021/np50073a012
BindingDB Entry DOI: 10.7270/Q2NK3HTG
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 2.68E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VD6WW6
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 2.47E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QN6558
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 5.40E+4n/an/an/an/an/an/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: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 1.78E+3n/an/an/an/an/an/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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 5.13E+3n/an/an/an/an/an/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 5.13E+3n/an/an/an/an/an/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 1.00E+4n/an/an/an/an/an/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
FXN frataxin


(Aspergillus niger)
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/an/an/a>5.97E+4n/an/an/an/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/an/an/a>8.93E+4n/an/an/an/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2QC0233
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/an/an/a>6.47E+4n/an/an/an/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KK99CT
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/an/an/a 3.38E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 600n/an/an/an/an/an/a



CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit D816V type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 800n/an/an/an/an/an/a



CNRS UMR-8113

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Kit wild type expressed in recombinant baculovirus


J Med Chem 48: 6194-201 (2005)


Article DOI: 10.1021/jm050231m
BindingDB Entry DOI: 10.7270/Q2B27TTR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor-glucocorticoid complex transfected in rat R1 cells assessed as down-regulation of TPA-responsive element proinf...


J Nat Prod 71: 1063-5 (2008)


Article DOI: 10.1021/np070655e
BindingDB Entry DOI: 10.7270/Q23J3DVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair