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SMILES: Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1

InChI Key: InChIKey=JUZVLELTCCUPPD-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 5 hits for monomerid = 50256976   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50256976
PNG
(CHEMBL475820 | N1-(2-aminophenyl)-N4-(4-methyl-3-(...)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C30H25N7O2/c1-19-8-13-24(15-27(19)37-30-33-17-23(18-34-30)22-5-4-14-32-16-22)35-28(38)20-9-11-21(12-10-20)29(39)36-26-7-3-2-6-25(26)31/h2-18H,31H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)
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n/an/a 270n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in HEK293 cells


J Med Chem 52: 2265-79 (2009)


Article DOI: 10.1021/jm800988r
BindingDB Entry DOI: 10.7270/Q2NS0TSP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50256976
PNG
(CHEMBL475820 | N1-(2-aminophenyl)-N4-(4-methyl-3-(...)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C30H25N7O2/c1-19-8-13-24(15-27(19)37-30-33-17-23(18-34-30)22-5-4-14-32-16-22)35-28(38)20-9-11-21(12-10-20)29(39)36-26-7-3-2-6-25(26)31/h2-18H,31H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)
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n/an/a 9.80E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) by liquid scintillation counting


J Med Chem 52: 2265-79 (2009)


Article DOI: 10.1021/jm800988r
BindingDB Entry DOI: 10.7270/Q2NS0TSP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50256976
PNG
(CHEMBL475820 | N1-(2-aminophenyl)-N4-(4-methyl-3-(...)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C30H25N7O2/c1-19-8-13-24(15-27(19)37-30-33-17-23(18-34-30)22-5-4-14-32-16-22)35-28(38)20-9-11-21(12-10-20)29(39)36-26-7-3-2-6-25(26)31/h2-18H,31H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting


J Med Chem 52: 2265-79 (2009)


Article DOI: 10.1021/jm800988r
BindingDB Entry DOI: 10.7270/Q2NS0TSP
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50256976
PNG
(CHEMBL475820 | N1-(2-aminophenyl)-N4-(4-methyl-3-(...)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C30H25N7O2/c1-19-8-13-24(15-27(19)37-30-33-17-23(18-34-30)22-5-4-14-32-16-22)35-28(38)20-9-11-21(12-10-20)29(39)36-26-7-3-2-6-25(26)31/h2-18H,31H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by liquid scintillation counting


J Med Chem 52: 2265-79 (2009)


Article DOI: 10.1021/jm800988r
BindingDB Entry DOI: 10.7270/Q2NS0TSP
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50256976
PNG
(CHEMBL475820 | N1-(2-aminophenyl)-N4-(4-methyl-3-(...)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C30H25N7O2/c1-19-8-13-24(15-27(19)37-30-33-17-23(18-34-30)22-5-4-14-32-16-22)35-28(38)20-9-11-21(12-10-20)29(39)36-26-7-3-2-6-25(26)31/h2-18H,31H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 expressed in HEK293 cells


J Med Chem 52: 2265-79 (2009)


Article DOI: 10.1021/jm800988r
BindingDB Entry DOI: 10.7270/Q2NS0TSP
More data for this
Ligand-Target Pair