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BDBM51902 MLS001203758::N-(4-Fluoro-benzylidene)-N'-(6-methoxy-2-methyl-quinolin-4-yl)-hydrazine::N-[(4-fluorophenyl)methylideneamino]-6-methoxy-2-methyl-4-quinolinamine::N-[(4-fluorophenyl)methylideneamino]-6-methoxy-2-methyl-quinolin-4-amine::N-[(4-fluorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine::SMR000517671::[(4-fluorobenzylidene)amino]-(6-methoxy-2-methyl-4-quinolyl)amine::[(E)-(4-fluorobenzylidene)amino]-(6-methoxy-2-methyl-4-quinolyl)amine::cid_3141521

SMILES: COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1

InChI Key: InChIKey=NDBCVNCPYASAJY-UHFFFAOYSA-N

Data: 6 IC50  4 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 10 hits for monomerid = 51902   
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 2


(Homo sapiens (Human))
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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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)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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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)


Article DOI: 10.1021/cb4002014
BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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n/an/an/an/a>1.16E+5n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q23XQJ
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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n/an/an/an/a>377n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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n/an/a 1.28E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
PDB
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n/an/a 1.70E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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n/an/a 1.01E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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n/an/a 5.12E+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 (2011)


Article DOI: 10.1021/bi500711x
BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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n/an/a 2.13E+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 (2011)


Article DOI: 10.1021/bi500887n
BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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n/an/a 1.18E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair