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SMILES: Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1

InChI Key: InChIKey=GDCAJIUCFRKHLA-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 9 hits for monomerid = 50129837   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50129837
PNG
(CHEMBL3628811)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H19BrN4O2S/c24-14-4-3-5-16(12-14)28-23(29)27-15-8-10-17(11-9-15)30-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H2,27,28,29)
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n/an/a 8.46E+3n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50129837
PNG
(CHEMBL3628811)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H19BrN4O2S/c24-14-4-3-5-16(12-14)28-23(29)27-15-8-10-17(11-9-15)30-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H2,27,28,29)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50129837
PNG
(CHEMBL3628811)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H19BrN4O2S/c24-14-4-3-5-16(12-14)28-23(29)27-15-8-10-17(11-9-15)30-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H2,27,28,29)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50129837
PNG
(CHEMBL3628811)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H19BrN4O2S/c24-14-4-3-5-16(12-14)28-23(29)27-15-8-10-17(11-9-15)30-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H2,27,28,29)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50129837
PNG
(CHEMBL3628811)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H19BrN4O2S/c24-14-4-3-5-16(12-14)28-23(29)27-15-8-10-17(11-9-15)30-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H2,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human EGFR after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50129837
PNG
(CHEMBL3628811)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H19BrN4O2S/c24-14-4-3-5-16(12-14)28-23(29)27-15-8-10-17(11-9-15)30-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H2,27,28,29)
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n/an/a 5.84E+3n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of Raf (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50129837
PNG
(CHEMBL3628811)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H19BrN4O2S/c24-14-4-3-5-16(12-14)28-23(29)27-15-8-10-17(11-9-15)30-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H2,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50129837
PNG
(CHEMBL3628811)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H19BrN4O2S/c24-14-4-3-5-16(12-14)28-23(29)27-15-8-10-17(11-9-15)30-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H2,27,28,29)
PDB
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n/an/a 11n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50129837
PNG
(CHEMBL3628811)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sc5CCCCc5c34)cc2)c1
Show InChI InChI=1S/C23H19BrN4O2S/c24-14-4-3-5-16(12-14)28-23(29)27-15-8-10-17(11-9-15)30-21-20-18-6-1-2-7-19(18)31-22(20)26-13-25-21/h3-5,8-13H,1-2,6-7H2,(H2,27,28,29)
PDB

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n/an/a 17n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair