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BDBM32340 3-ethyl-6-methoxy-1H-benzo[de]cinnoline::MLS000533398::SMR000140796::cid_2876479

SMILES: CCc1n[nH]c2cccc3c(OC)ccc1c23

InChI Key: InChIKey=OSHYRZXUHGNKMW-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 32340   
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
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
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PCBioAssay
n/an/a 2.18E+4n/an/an/an/a7.223



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FJ2F43
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
PDB
MMDB

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n/an/a 3.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
PDB
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2930RK5
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
PDB

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antibodypedia
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n/an/a 586n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
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PCBioAssay
n/an/a 2.15E+3n/an/an/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 521n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 8.79E+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: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair