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BDBM155538 US9012461, 14::US9012461, 15

SMILES: CNC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(F)(F)F

InChI Key: InChIKey=WXWQWJUPUSHHNW-UHFFFAOYSA-N

Data: 4 IC50  2 Kd

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 6 hits for monomerid = 155538   
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))
BDBM155538
PNG
(US9012461, 14 | US9012461, 15)
Show SMILES CNC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C26H29F3N6O/c1-30-24(36)16-19-5-3-2-4-18(19)6-11-23-22(26(27,28)29)17-32-25(34-23)33-20-7-9-21(10-8-20)35-14-12-31-13-15-35/h2-5,7-10,17,31H,6,11-16H2,1H3,(H,30,36)(H,32,33,34)
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US Patent
n/an/a 21n/an/an/an/a7.4n/a



Cancer Therapeutics CRC Pty Ltd

US Patent


Assay Description
A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...


US Patent US9012461 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36K7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM155538
PNG
(US9012461, 14 | US9012461, 15)
Show SMILES CNC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C26H29F3N6O/c1-30-24(36)16-19-5-3-2-4-18(19)6-11-23-22(26(27,28)29)17-32-25(34-23)33-20-7-9-21(10-8-20)35-14-12-31-13-15-35/h2-5,7-10,17,31H,6,11-16H2,1H3,(H,30,36)(H,32,33,34)
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US Patent
n/an/a 18n/an/an/an/a7.4n/a



Cancer Therapeutics CRC Pty Ltd

US Patent


Assay Description
A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...


US Patent US9012461 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36K7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM155538
PNG
(US9012461, 14 | US9012461, 15)
Show SMILES CNC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C26H29F3N6O/c1-30-24(36)16-19-5-3-2-4-18(19)6-11-23-22(26(27,28)29)17-32-25(34-23)33-20-7-9-21(10-8-20)35-14-12-31-13-15-35/h2-5,7-10,17,31H,6,11-16H2,1H3,(H,30,36)(H,32,33,34)
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US Patent
n/an/a 37n/an/an/an/a7.0n/a



Cancer Therapeutics CRC Pty Ltd

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...


US Patent US9012461 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36K7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM155538
PNG
(US9012461, 14 | US9012461, 15)
Show SMILES CNC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C26H29F3N6O/c1-30-24(36)16-19-5-3-2-4-18(19)6-11-23-22(26(27,28)29)17-32-25(34-23)33-20-7-9-21(10-8-20)35-14-12-31-13-15-35/h2-5,7-10,17,31H,6,11-16H2,1H3,(H,30,36)(H,32,33,34)
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US Patent
n/an/an/a 5n/an/an/a7.425



Cancer Therapeutics CRC Pty Ltd

US Patent


Assay Description
Binding parameters of compounds were determined using a Biacore S51 sensor. An anti-GST antibody was immobilized onto a CM5 chip by primary amine-cou...


US Patent US9012461 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36K7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM155538
PNG
(US9012461, 14 | US9012461, 15)
Show SMILES CNC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C26H29F3N6O/c1-30-24(36)16-19-5-3-2-4-18(19)6-11-23-22(26(27,28)29)17-32-25(34-23)33-20-7-9-21(10-8-20)35-14-12-31-13-15-35/h2-5,7-10,17,31H,6,11-16H2,1H3,(H,30,36)(H,32,33,34)
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US Patent
n/an/a 101n/an/an/an/a7.0n/a



Cancer Therapeutics CRC Pty Ltd

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...


US Patent US9012461 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36K7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM155538
PNG
(US9012461, 14 | US9012461, 15)
Show SMILES CNC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C26H29F3N6O/c1-30-24(36)16-19-5-3-2-4-18(19)6-11-23-22(26(27,28)29)17-32-25(34-23)33-20-7-9-21(10-8-20)35-14-12-31-13-15-35/h2-5,7-10,17,31H,6,11-16H2,1H3,(H,30,36)(H,32,33,34)
PDB
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NCI pathway
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KEGG

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PC sid
UniChem

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US Patent
n/an/an/a 6.10n/an/an/a7.425



Cancer Therapeutics CRC Pty Ltd

US Patent


Assay Description
Binding parameters of compounds were determined using a Biacore S51 sensor. An anti-GST antibody was immobilized onto a CM5 chip by primary amine-cou...


US Patent US9012461 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36K7
More data for this
Ligand-Target Pair