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SMILES: Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1

InChI Key: InChIKey=NCWJNVZGQDGGJK-UHFFFAOYSA-N

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 = 41073   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
PDB
MMDB

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KEGG

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n/an/a 3.94E+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
Protein Rev [8-24]


(Human immunodeficiency virus 1)
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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n/an/a>7.94E+4n/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 Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DN43GX
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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KEGG

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n/an/a 1.67E+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
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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n/an/a 2.25E+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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
PDB
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n/an/a 1.09E+5n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Amyloid-beta A4 precursor protein-binding family A member 1


(Rattus norvegicus)
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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n/an/a 8.21E+3n/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
Core protein


(Hepatitis C virus)
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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n/an/a>4.98E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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n/an/a 3.18E+3n/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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
PDB
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NCI pathway
KEGG

UniProtKB/SwissProt

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n/an/a 7.19E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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n/an/a 3.14E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair