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BDBM50257115 CHEMBL474046::N2-(2-aminophenyl)-N5-(4-methyl-3-(5-(pyridin-3-yl)thiazol-2-ylamino)phenyl)pyridine-2,5-dicarboxamide

SMILES: Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1

InChI Key: InChIKey=NSNLRAKUIBYWMK-UHFFFAOYSA-N

Data: 5 IC50

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 = 50257115   
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))
BDBM50257115
PNG
(CHEMBL474046 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...)
Show SMILES Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1
Show InChI InChI=1S/C28H23N7O2S/c1-17-8-10-20(13-24(17)35-28-32-16-25(38-28)18-5-4-12-30-14-18)33-26(36)19-9-11-23(31-15-19)27(37)34-22-7-3-2-6-21(22)29/h2-16H,29H2,1H3,(H,32,35)(H,33,36)(H,34,37)
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PubMed
n/an/a 310n/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))
BDBM50257115
PNG
(CHEMBL474046 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...)
Show SMILES Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1
Show InChI InChI=1S/C28H23N7O2S/c1-17-8-10-20(13-24(17)35-28-32-16-25(38-28)18-5-4-12-30-14-18)33-26(36)19-9-11-23(31-15-19)27(37)34-22-7-3-2-6-21(22)29/h2-16H,29H2,1H3,(H,32,35)(H,33,36)(H,34,37)
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n/an/a 9.00E+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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50257115
PNG
(CHEMBL474046 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...)
Show SMILES Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1
Show InChI InChI=1S/C28H23N7O2S/c1-17-8-10-20(13-24(17)35-28-32-16-25(38-28)18-5-4-12-30-14-18)33-26(36)19-9-11-23(31-15-19)27(37)34-22-7-3-2-6-21(22)29/h2-16H,29H2,1H3,(H,32,35)(H,33,36)(H,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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50257115
PNG
(CHEMBL474046 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...)
Show SMILES Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1
Show InChI InChI=1S/C28H23N7O2S/c1-17-8-10-20(13-24(17)35-28-32-16-25(38-28)18-5-4-12-30-14-18)33-26(36)19-9-11-23(31-15-19)27(37)34-22-7-3-2-6-21(22)29/h2-16H,29H2,1H3,(H,32,35)(H,33,36)(H,34,37)
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Article
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n/an/a 3.50E+4n/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))
BDBM50257115
PNG
(CHEMBL474046 | N2-(2-aminophenyl)-N5-(4-methyl-3-(...)
Show SMILES Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1
Show InChI InChI=1S/C28H23N7O2S/c1-17-8-10-20(13-24(17)35-28-32-16-25(38-28)18-5-4-12-30-14-18)33-26(36)19-9-11-23(31-15-19)27(37)34-22-7-3-2-6-21(22)29/h2-16H,29H2,1H3,(H,32,35)(H,33,36)(H,34,37)
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n/an/a 4.70E+4n/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