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3 similar compounds to monomer 67160

Compile data set for download or QSAR
Wt: 443.5
BDBM40988
Wt: 385.5
BDBM40989
Wt: 429.5
BDBM40937

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 40988,40989,40937   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM40937
PNG
(2-Methyl-5-oxo-7-thiophen-2-yl-4-thiophen-3-yl-1,4...)
Show SMILES COCCOC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C
Show InChI InChI=1S/C22H23NO4S2/c1-13-19(22(25)27-7-6-26-2)20(14-5-9-28-12-14)21-16(23-13)10-15(11-17(21)24)18-4-3-8-29-18/h3-5,8-9,12,15,19-20H,6-7,10-11H2,1-2H3
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n/an/a>7.00E+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 Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM40988
PNG
(2-ethoxyethyl 2-methyl-5-oxidanylidene-7-thiophen-...)
Show SMILES CCOCCOC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C
Show InChI InChI=1S/C23H25NO4S2/c1-3-27-7-8-28-23(26)20-14(2)24-17-11-16(19-5-4-9-30-19)12-18(25)22(17)21(20)15-6-10-29-13-15/h4-6,9-10,13,16,20-21H,3,7-8,11-12H2,1-2H3
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n/an/a>7.00E+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 Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM40989
PNG
(2-methyl-5-oxo-7-thiophen-2-yl-4-(3-thiophenyl)-4,...)
Show SMILES COC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C
Show InChI InChI=1S/C20H19NO3S2/c1-11-17(20(23)24-2)18(12-5-7-25-10-12)19-14(21-11)8-13(9-15(19)22)16-4-3-6-26-16/h3-7,10,13,17-18H,8-9H2,1-2H3
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n/an/a>7.00E+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 Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM40988
PNG
(2-ethoxyethyl 2-methyl-5-oxidanylidene-7-thiophen-...)
Show SMILES CCOCCOC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C
Show InChI InChI=1S/C23H25NO4S2/c1-3-27-7-8-28-23(26)20-14(2)24-17-11-16(19-5-4-9-30-19)12-18(25)22(17)21(20)15-6-10-29-13-15/h4-6,9-10,13,16,20-21H,3,7-8,11-12H2,1-2H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40988
PNG
(2-ethoxyethyl 2-methyl-5-oxidanylidene-7-thiophen-...)
Show SMILES CCOCCOC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C
Show InChI InChI=1S/C23H25NO4S2/c1-3-27-7-8-28-23(26)20-14(2)24-17-11-16(19-5-4-9-30-19)12-18(25)22(17)21(20)15-6-10-29-13-15/h4-6,9-10,13,16,20-21H,3,7-8,11-12H2,1-2H3
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n/an/a>6.95E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40989
PNG
(2-methyl-5-oxo-7-thiophen-2-yl-4-(3-thiophenyl)-4,...)
Show SMILES COC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C
Show InChI InChI=1S/C20H19NO3S2/c1-11-17(20(23)24-2)18(12-5-7-25-10-12)19-14(21-11)8-13(9-15(19)22)16-4-3-6-26-16/h3-7,10,13,17-18H,8-9H2,1-2H3
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n/an/a>6.95E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40937
PNG
(2-Methyl-5-oxo-7-thiophen-2-yl-4-thiophen-3-yl-1,4...)
Show SMILES COCCOC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C
Show InChI InChI=1S/C22H23NO4S2/c1-13-19(22(25)27-7-6-26-2)20(14-5-9-28-12-14)21-16(23-13)10-15(11-17(21)24)18-4-3-8-29-18/h3-5,8-9,12,15,19-20H,6-7,10-11H2,1-2H3
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n/an/a>6.95E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair